CAS RN: 6265-34-5
CAS Name: 1-(4-methoxyphenyl)-5-phenyl-3-pyrazolecarboxylic acid
OPENEYE Name: 1-(4-methoxyphenyl)-5-phenyl-pyrazole-3-carboxylic acid
IUPAC Name: 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-5-phenyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 70617-44-6
CAS Name: 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: COC1=CC=CC=C1C2=NNC(=S)O2
Structure:
CAS RN: 139156-96-0
CAS Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
OPENEYE Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
IUPAC Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
SYSTEMATIC NAME: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
MOLECULAR FORMULA: C16H12N4
MOLECULAR WEIGHT: 260.29328
SMILES: C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C#N
Structure:
CAS RN: 302956-47-4
CAS Name: 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C11H13N3O2S2
MOLECULAR WEIGHT: 283.36982
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)N
Structure:
CAS RN: 5258-08-2
CAS Name: (5Z)-2-phenyl-5-(phenylmethylene)-4-thiazolone
OPENEYE Name: (5Z)-5-benzylidene-2-phenyl-thiazol-4-one
IUPAC Name: (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5Z)-2-phenyl-5-(phenylmethylidene)-1,3-thiazol-4-one
MOLECULAR FORMULA: C16H11NOS
MOLECULAR WEIGHT: 265.32964
SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)C3=CC=CC=C3
Structure:
CAS RN: 51291-31-7
CAS Name: 4-methyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-benzyl-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CN1C(=NNC1=S)CC2=CC=CC=C2
Structure:
CAS RN: 94344-92-0
CAS Name: 4,6-bis(4-morpholinyl)-N-phenyl-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-dimorpholino-N-phenyl-1,3,5-triazin-2-amine
IUPAC Name: 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C17H22N6O2
MOLECULAR WEIGHT: 342.39558
SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4
Structure:
CAS RN: 113546-63-7
CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetohydrazide
OPENEYE Name: 2-(1,3-benzoxazol-2-ylsulfanyl)acetohydrazide
IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)acetohydrazide
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanyl)ethanehydrazide
MOLECULAR FORMULA: C9H9N3O2S
MOLECULAR WEIGHT: 223.25166
SMILES: C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN
Structure:
CAS RN: 35132-85-5
CAS Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetic acid
OPENEYE Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetic acid
IUPAC Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(3aS,7aR)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)O
Structure:
CAS RN: 127040-60-2
CAS Name: N-(2-phenylethyl)-2-(2-sulfanylidene-1-pyrrolidinyl)ethanethioamide
OPENEYE Name: N-(2-phenylethyl)-2-(2-thioxopyrrolidin-1-yl)thioacetamide
IUPAC Name: N-(2-phenylethyl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
SYSTEMATIC NAME: N-(2-phenylethyl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
MOLECULAR FORMULA: C14H18N2S2
MOLECULAR WEIGHT: 278.43612
SMILES: C1CC(=S)N(C1)CC(=S)NCCC2=CC=CC=C2
Structure:
CAS RN: 61901-01-7
CAS Name: 2-(phenylmethyl)imino-1-benzopyran-3-carboxamide
OPENEYE Name: 2-benzyliminochromene-3-carboxamide
IUPAC Name: 2-benzyliminochromene-3-carboxamide
SYSTEMATIC NAME: 2-(phenylmethyl)iminochromene-3-carboxamide
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: C1=CC=C(C=C1)CN=C2C(=CC3=CC=CC=C3O2)C(=O)N
Structure:
CAS RN: 106578-18-1
CAS Name: 3-(2-bromo-1-oxoethyl)-8-methoxy-1-benzopyran-2-one
OPENEYE Name: 3-(2-bromoacetyl)-8-methoxy-chromen-2-one
IUPAC Name: 3-(2-bromoacetyl)-8-methoxychromen-2-one
SYSTEMATIC NAME: 3-(2-bromanylethanoyl)-8-methoxy-chromen-2-one
MOLECULAR FORMULA: C12H9BrO4
MOLECULAR WEIGHT: 297.10146
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CBr
Structure:
CAS RN: 114066-89-6
CAS Name: 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
OPENEYE Name: 1,3-diallyl-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC1=CN(C(=O)N(C1=O)CC=C)CC=C
Structure:
CAS RN: 37489-45-5
CAS Name: 4,6,6-trimethyl-3-(3-methylphenyl)-1H-pyrimidine-2-thione
OPENEYE Name: 4,6,6-trimethyl-3-(m-tolyl)-1H-pyrimidine-2-thione
IUPAC Name: 4,6,6-trimethyl-3-(3-methylphenyl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 4,6,6-trimethyl-3-(3-methylphenyl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C14H18N2S
MOLECULAR WEIGHT: 246.37112
SMILES: CC1=CC(=CC=C1)N2C(=CC(NC2=S)(C)C)C
Structure:
CAS RN: 105544-62-5
CAS Name: 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C12H16N2O2S2
MOLECULAR WEIGHT: 284.39764
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N
Structure:
CAS RN: 16064-08-7
CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide
OPENEYE Name: N-[(3-methoxyphenyl)carbamothioyl]thiophene-2-carboxamide
IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(3-methoxyphenyl)carbamothioyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C13H12N2O2S2
MOLECULAR WEIGHT: 292.37658
SMILES: COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CS2
Structure:
CAS RN: 5561-85-3
CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
OPENEYE Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenyl-propanamide
IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SYSTEMATIC NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenyl-propanamide
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CCC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2
Structure:
CAS RN: 14840-18-7
CAS Name: 3-(1-benzimidazolyl)propanoic acid
OPENEYE Name: 3-(benzimidazol-1-yl)propanoic acid
IUPAC Name: 3-(benzimidazol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)propanoic acid
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: C1=CC=C2C(=C1)N=CN2CCC(=O)O
Structure:
CAS RN: 6034-68-0
CAS Name: N-(7H-purin-6-yl)acetamide
OPENEYE Name: N-(7H-purin-6-yl)acetamide
IUPAC Name: N-(7H-purin-6-yl)acetamide
SYSTEMATIC NAME: N-(7H-purin-6-yl)ethanamide
MOLECULAR FORMULA: C7H7N5O
MOLECULAR WEIGHT: 177.16338
SMILES: CC(=O)NC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 52481-66-0
CAS Name: 2-hydrazinyl-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-hydrazino-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-hydrazinyl-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-diazanyl-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C7H11N3O2S
MOLECULAR WEIGHT: 201.24614
SMILES: CCOC(=O)C1=C(N=C(S1)NN)C
Structure:
CAS RN: 57709-34-9
CAS Name: 2-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
OPENEYE Name: 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
MOLECULAR FORMULA: C8H11F3N4S
MOLECULAR WEIGHT: 252.25995
SMILES: CN1CCN(CC1)C2=NN=C(S2)C(F)(F)F
Structure:
CAS RN: 5169-63-1
CAS Name: 4-[1-(3-methylbutyl)-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
OPENEYE Name: 4-(1-isopentylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
IUPAC Name: 4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SYSTEMATIC NAME: 4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
MOLECULAR FORMULA: C14H17N5O
MOLECULAR WEIGHT: 271.31768
SMILES: CC(C)CCN1C2=CC=CC=C2N=C1C3=NON=C3N
Structure:
CAS RN: 4104-33-0
CAS Name: N-(4-hydroxyphenyl)-2-furancarboxamide
OPENEYE Name: N-(4-hydroxyphenyl)furan-2-carboxamide
IUPAC Name: N-(4-hydroxyphenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(4-hydroxyphenyl)furan-2-carboxamide
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: C1=COC(=C1)C(=O)NC2=CC=C(C=C2)O
Structure:
CAS RN: 94205-62-6
CAS Name: 2-(4-aminophenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(4-aminophenyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(4-aminophenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(4-aminophenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N)C(=O)O
Structure:
CAS RN: 158619-46-6
CAS Name: 3-(3-methylphenyl)benzoic acid
OPENEYE Name: 3-(m-tolyl)benzoic acid
IUPAC Name: 3-(3-methylphenyl)benzoic acid
SYSTEMATIC NAME: 3-(3-methylphenyl)benzoic acid
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O
Structure:
CAS RN: 186384-46-3
CAS Name: 1,3-dioxo-2-(2-pyridinyl)-5-isoindolecarboxylic acid
OPENEYE Name: 1,3-dioxo-2-(2-pyridyl)isoindoline-5-carboxylic acid
IUPAC Name: 1,3-dioxo-2-pyridin-2-ylisoindole-5-carboxylic acid
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindole-5-carboxylic acid
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
Structure:
CAS RN: 122773-97-1
CAS Name: 2-phenyl-5-pyrimidinecarboxylic acid
OPENEYE Name: 2-phenylpyrimidine-5-carboxylic acid
IUPAC Name: 2-phenylpyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 2-phenylpyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O
Structure:
CAS RN: 33274-47-4
CAS Name: 6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
OPENEYE Name: 6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
IUPAC Name: 6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-oxidanylidene-1H-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)O
Structure:
CAS RN: 1705-09-5
CAS Name: 3-methyl-2-sulfanylidene-1H-quinazolin-4-one
OPENEYE Name: 3-methyl-2-thioxo-1H-quinazolin-4-one
IUPAC Name: 3-methyl-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 3-methyl-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: CN1C(=O)C2=CC=CC=C2NC1=S
Structure:
CAS RN: 62557-32-8
CAS Name: 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione
OPENEYE Name: 5-bromo-2-(2-hydroxyphenyl)isoindoline-1,3-dione
IUPAC Name: 5-bromo-2-(2-hydroxyphenyl)isoindole-1,3-dione
SYSTEMATIC NAME: 5-bromanyl-2-(2-hydroxyphenyl)isoindole-1,3-dione
MOLECULAR FORMULA: C14H8BrNO3
MOLECULAR WEIGHT: 318.12222
SMILES: C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)O
Structure:
CAS RN: 10147-06-5
CAS Name: 1-(2-phenylethyl)-2-pyrrolidinone
OPENEYE Name: 1-(2-phenylethyl)pyrrolidin-2-one
IUPAC Name: 1-(2-phenylethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-phenylethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: C1CC(=O)N(C1)CCC2=CC=CC=C2
Structure:
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