Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1 – 15 of 7,158 results

Uric acid, 99%, Thermo Scientific Chemicals

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

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Specifications

PubChem CID	1175
CAS	69-93-2
Molecular Weight (g/mol)	168.112
ChEBI	CHEBI:17775
MDL Number	MFCD00005712
SMILES	C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym	uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name	7,9-dihydro-3H-purine-2,6,8-trione
InChI Key	LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula	C5H4N4O3

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Nicotinic acid, specified according to the requirements of Ph. Eur, Thermo Scientific Chemicals

CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1

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Specifications

PubChem CID	938
CAS	59-67-6
Molecular Weight (g/mol)	123.11
ChEBI	CHEBI:15940
MDL Number	MFCD00006391
SMILES	OC(=O)C1=CC=CN=C1
Synonym	nicotinic acid,niacin,3-pyridinecarboxylic acid,3-carboxypyridine,wampocap,acidum nicotinicum,apelagrin,pellagrin,akotin,daskil
IUPAC Name	pyridine-3-carboxylic acid
InChI Key	PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula	C6H5NO2

Xanthane hydride, Thermo Scientific Chemicals

CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1

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Specifications

CAS	6846-35-1
Molecular Weight (g/mol)	150.23
SMILES	NC1=NC(=S)SS1
IUPAC Name	5-amino-3H-1,2,4-dithiazole-3-thione
InChI Key	YWZHEXZIISFIDA-UHFFFAOYSA-N
Molecular Formula	C2H2N2S3

(1-Benzyl-4-piperidyl)methanol, Thermo Scientific™, Thermo Scientific™

CAS: 67686-01-5 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.301 MDL Number: MFCD00831014 InChI Key: FLQPYEOKVZYXRL-UHFFFAOYSA-N Synonym: 1-benzyl-4-piperidyl methanol,1-benzylpiperidin-4-yl methanol,1-benzyl-4-piperidinemethanol,1-benzyl-4-piperidinyl methanol,1-benzyl-4-hydroxymethylpiperidine,4-piperidinemethanol, 1-phenylmethyl,1-benzy-4-hydroxymethylpiperidine,1-benzy-4-hydroxymethyl piperidine,pubchem8894,1-benzyl-4-piperdinemethanol PubChem CID: 736802 IUPAC Name: (1-benzylpiperidin-4-yl)methanol SMILES: C1CN(CCC1CO)CC2=CC=CC=C2

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Specifications

PubChem CID	736802
CAS	67686-01-5
Molecular Weight (g/mol)	205.301
MDL Number	MFCD00831014
SMILES	C1CN(CCC1CO)CC2=CC=CC=C2
Synonym	1-benzyl-4-piperidyl methanol,1-benzylpiperidin-4-yl methanol,1-benzyl-4-piperidinemethanol,1-benzyl-4-piperidinyl methanol,1-benzyl-4-hydroxymethylpiperidine,4-piperidinemethanol, 1-phenylmethyl,1-benzy-4-hydroxymethylpiperidine,1-benzy-4-hydroxymethyl piperidine,pubchem8894,1-benzyl-4-piperdinemethanol
IUPAC Name	(1-benzylpiperidin-4-yl)methanol
InChI Key	FLQPYEOKVZYXRL-UHFFFAOYSA-N
Molecular Formula	C13H19NO

6-chloropyridazin-3-amine, Thermo Scientific™, 97%, Thermo Scientific™

CAS: 5469-69-2 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 MDL Number: MFCD00051506 InChI Key: DTXVKPOKPFWSFF-UHFFFAOYSA-N Synonym: 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine PubChem CID: 21643 IUPAC Name: 6-chloropyridazin-3-amine SMILES: NC1=CC=C(Cl)N=N1

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Specifications

PubChem CID	21643
CAS	5469-69-2
Molecular Weight (g/mol)	129.55
MDL Number	MFCD00051506
SMILES	NC1=CC=C(Cl)N=N1
Synonym	3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine
IUPAC Name	6-chloropyridazin-3-amine
InChI Key	DTXVKPOKPFWSFF-UHFFFAOYSA-N
Molecular Formula	C4H4ClN3

2,6-Di(tert-butyl)pyridine, 97%, Thermo Scientific™, Thermo Scientific™

CAS: 585-48-8 Molecular Formula: C13H21N Molecular Weight (g/mol): 191.318 MDL Number: MFCD00006306 InChI Key: UWKQJZCTQGMHKD-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 PubChem CID: 68510 IUPAC Name: 2,6-ditert-butylpyridine SMILES: CC(C)(C)C1=NC(=CC=C1)C(C)(C)C

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Specifications

PubChem CID	68510
CAS	585-48-8
Molecular Weight (g/mol)	191.318
MDL Number	MFCD00006306
SMILES	CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
Synonym	2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119
IUPAC Name	2,6-ditert-butylpyridine
InChI Key	UWKQJZCTQGMHKD-UHFFFAOYSA-N
Molecular Formula	C13H21N

Quinoxaline, 98+%, Thermo Scientific Chemicals

CAS: 91-19-0 Molecular Formula: C₈H₆N₂ Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006719 InChI Key: XSCHRSMBECNVNS-UHFFFAOYSA-N Synonym: benzoparadiazine,1,4-benzodiazine,phenopiazine,phenpiazine,quinazine,benzopyrazine,1,4-diazanaphthalene,benzo a pyrazine,1,4-naphthyridine,chinoxalin PubChem CID: 7045 ChEBI: CHEBI:36616 IUPAC Name: quinoxaline SMILES: C1=CC=C2C(=C1)N=CC=N2

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Specifications

PubChem CID	7045
CAS	91-19-0
Molecular Weight (g/mol)	130.15
ChEBI	CHEBI:36616
MDL Number	MFCD00006719
SMILES	C1=CC=C2C(=C1)N=CC=N2
Synonym	benzoparadiazine,1,4-benzodiazine,phenopiazine,phenpiazine,quinazine,benzopyrazine,1,4-diazanaphthalene,benzo a pyrazine,1,4-naphthyridine,chinoxalin
IUPAC Name	quinoxaline
InChI Key	XSCHRSMBECNVNS-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂

Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Molecular Formula: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

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Specifications

CAS	20187-55-7
Molecular Weight (g/mol)	304.28
SMILES	[Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
IUPAC Name	sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
InChI Key	GHFGHIKJGVMEFT-UHFFFAOYSA-M
Molecular Formula	C16H13N2NaO3

Ceftizoxime, Thermo Scientific Chemicals

CAS: 68401-81-0 Molecular Formula: C13H13N5O5S2 Molecular Weight (g/mol): 383.40 MDL Number: MFCD00072000 InChI Key: NNULBSISHYWZJU-LLKWHZGFSA-N IUPAC Name: sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate SMILES: [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O

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Specifications

CAS	68401-81-0
Molecular Weight (g/mol)	383.40
MDL Number	MFCD00072000
SMILES	[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
IUPAC Name	sodium (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI Key	NNULBSISHYWZJU-LLKWHZGFSA-N
Molecular Formula	C13H13N5O5S2

Theophylline, Thermo Scientific Chemicals

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

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Specifications

PubChem CID	2153
CAS	58-55-9
Molecular Weight (g/mol)	180.167
ChEBI	CHEBI:28177
MDL Number	MFCD00079619
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym	theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula	C7H8N4O2

2-Morpholinobenzaldehyde, 97%, Thermo Scientific™

CAS: 58028-76-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00662562 InChI Key: GTTAEWVBVHSDLX-UHFFFAOYSA-N Synonym: 2-morpholinobenzaldehyde,2-morpholin-4-yl-benzaldehyde,2-4-morpholino benzaldehyde,2-morpholin-4-yl benzaldehyde,benzaldehyde, 2-4-morpholinyl,morpholinobenzaldehyde,pubchem16276,acmc-1b05v,2-morpholinobenzenecarbaldehyde,4-2-formylphenyl morpholine PubChem CID: 2737010 IUPAC Name: 2-morpholin-4-ylbenzaldehyde SMILES: O=CC1=CC=CC=C1N1CCOCC1

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Specifications

PubChem CID	2737010
CAS	58028-76-5
Molecular Weight (g/mol)	191.23
MDL Number	MFCD00662562
SMILES	O=CC1=CC=CC=C1N1CCOCC1
Synonym	2-morpholinobenzaldehyde,2-morpholin-4-yl-benzaldehyde,2-4-morpholino benzaldehyde,2-morpholin-4-yl benzaldehyde,benzaldehyde, 2-4-morpholinyl,morpholinobenzaldehyde,pubchem16276,acmc-1b05v,2-morpholinobenzenecarbaldehyde,4-2-formylphenyl morpholine
IUPAC Name	2-morpholin-4-ylbenzaldehyde
InChI Key	GTTAEWVBVHSDLX-UHFFFAOYSA-N
Molecular Formula	C11H13NO2

2-Morpholinoaniline, 97%, Thermo Scientific™

CAS: 5585-33-1 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.235 MDL Number: MFCD00047408 InChI Key: QKWLVAYDAHQMLG-UHFFFAOYSA-N Synonym: 2-morpholinoaniline,2-morpholin-4-yl aniline,2-morpholin-4-yl-phenylamine,2-4-morpholino aniline,4-2-aminophenyl morpholine,2-4-morpholinyl aniline,2-morpholin-4-ylphenylamine,enamine_000782,acmc-1ap2s PubChem CID: 735756 IUPAC Name: 2-morpholin-4-ylaniline SMILES: C1COCCN1C2=CC=CC=C2N

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Specifications

PubChem CID	735756
CAS	5585-33-1
Molecular Weight (g/mol)	178.235
MDL Number	MFCD00047408
SMILES	C1COCCN1C2=CC=CC=C2N
Synonym	2-morpholinoaniline,2-morpholin-4-yl aniline,2-morpholin-4-yl-phenylamine,2-4-morpholino aniline,4-2-aminophenyl morpholine,2-4-morpholinyl aniline,2-morpholin-4-ylphenylamine,enamine_000782,acmc-1ap2s
IUPAC Name	2-morpholin-4-ylaniline
InChI Key	QKWLVAYDAHQMLG-UHFFFAOYSA-N
Molecular Formula	C10H14N2O

4-Piperidinoaniline, 97%, Thermo Scientific™

CAS: 2359-60-6 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00051688 InChI Key: TVOSOIXYPHKEAR-UHFFFAOYSA-N Synonym: 4-piperidinoaniline,4-piperidin-1-yl-phenylamine,4-piperidin-1-yl aniline,4-1-piperidinyl aniline,1-4-aminophenyl piperidine,benzenamine, 4-1-piperidinyl,n-4-aminophenyl piperidine,4-1-piperidyl aniline,4-1-piperidino aniline,4-piperidylphenylamine PubChem CID: 413501 IUPAC Name: 4-piperidin-1-ylaniline SMILES: C1CCN(CC1)C2=CC=C(C=C2)N

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Specifications

PubChem CID	413501
CAS	2359-60-6
Molecular Weight (g/mol)	176.263
MDL Number	MFCD00051688
SMILES	C1CCN(CC1)C2=CC=C(C=C2)N
Synonym	4-piperidinoaniline,4-piperidin-1-yl-phenylamine,4-piperidin-1-yl aniline,4-1-piperidinyl aniline,1-4-aminophenyl piperidine,benzenamine, 4-1-piperidinyl,n-4-aminophenyl piperidine,4-1-piperidyl aniline,4-1-piperidino aniline,4-piperidylphenylamine
IUPAC Name	4-piperidin-1-ylaniline
InChI Key	TVOSOIXYPHKEAR-UHFFFAOYSA-N
Molecular Formula	C11H16N2

2-Chloroisonicotinamide, 95%, Thermo Scientific™

CAS: 100859-84-5 Molecular Formula: C6H5ClN2O Molecular Weight (g/mol): 156.569 MDL Number: MFCD00221401 InChI Key: DEMJOLRJLACBRX-UHFFFAOYSA-N PubChem CID: 2800022 IUPAC Name: 2-chloropyridine-4-carboxamide SMILES: C1=CN=C(C=C1C(=O)N)Cl

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Specifications

PubChem CID	2800022
CAS	100859-84-5
Molecular Weight (g/mol)	156.569
MDL Number	MFCD00221401
SMILES	C1=CN=C(C=C1C(=O)N)Cl
IUPAC Name	2-chloropyridine-4-carboxamide
InChI Key	DEMJOLRJLACBRX-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O

4-Morpholinophenyl isothiocyanate, Thermo Scientific™

CAS: 51317-66-9 Molecular Formula: C11H12N2OS Molecular Weight (g/mol): 220.29 InChI Key: AXUXRZZYZBZQAR-UHFFFAOYSA-N PubChem CID: 224862 IUPAC Name: 4-(4-isothiocyanatophenyl)morpholine SMILES: C1COCCN1C2=CC=C(C=C2)N=C=S

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Specifications

PubChem CID	224862
CAS	51317-66-9
Molecular Weight (g/mol)	220.29
SMILES	C1COCCN1C2=CC=C(C=C2)N=C=S
IUPAC Name	4-(4-isothiocyanatophenyl)morpholine
InChI Key	AXUXRZZYZBZQAR-UHFFFAOYSA-N
Molecular Formula	C11H12N2OS

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