CAS RN: 38496-18-3
CAS Name: 2,6-dichloro-3-pyridinecarboxylic acid
OPENEYE Name: 2,6-dichloropyridine-3-carboxylic acid
IUPAC Name: 2,6-dichloropyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-bis(chloranyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H3Cl2NO2
MOLECULAR WEIGHT: 191.99952
SMILES: C1=CC(=NC(=C1C(=O)O)Cl)Cl
Structure:
CAS RN: 32387-21-6
CAS Name: 1-methyl-3-indolecarboxylic acid
OPENEYE Name: 1-methylindole-3-carboxylic acid
IUPAC Name: 1-methylindole-3-carboxylic acid
SYSTEMATIC NAME: 1-methylindole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CN1C=C(C2=CC=CC=C21)C(=O)O
Structure:
CAS RN: 161970-71-4
CAS Name: (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
OPENEYE Name: (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
IUPAC Name: (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: C1C[C@@]2(N(C1=O)[C@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 132959-39-8
CAS Name: (3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
OPENEYE Name: (3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
IUPAC Name: (3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: (3R,7aR)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: C1C[C@]2(N(C1=O)[C@@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 575-85-9
CAS Name: 2-(6-fluoro-1H-indol-3-yl)ethanamine
OPENEYE Name: 2-(6-fluoro-1H-indol-3-yl)ethanamine
IUPAC Name: 2-(6-fluoro-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(6-fluoranyl-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C10H11FN2
MOLECULAR WEIGHT: 178.206143
SMILES: C1=CC2=C(C=C1F)NC=C2CCN
Structure:
CAS RN: 96193-26-9
CAS Name: (8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
OPENEYE Name: (8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
IUPAC Name: (8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SYSTEMATIC NAME: (8aR)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: C1C[C@@H]2C(=O)NCC(=O)N2C1
Structure:
CAS RN: 486-56-6
CAS Name: (5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
OPENEYE Name: (5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
IUPAC Name: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SYSTEMATIC NAME: (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CN1[C@@H](CCC1=O)C2=CN=CC=C2
Structure:
CAS RN: 118121-82-7
CAS Name: 4-(4-chloro-6-methyl-2-pyrimidinyl)morpholine
OPENEYE Name: 4-(4-chloro-6-methyl-pyrimidin-2-yl)morpholine
IUPAC Name: 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
SYSTEMATIC NAME: 4-(4-chloranyl-6-methyl-pyrimidin-2-yl)morpholine
MOLECULAR FORMULA: C9H12ClN3O
MOLECULAR WEIGHT: 213.66408
SMILES: CC1=CC(=NC(=N1)N2CCOCC2)Cl
Structure:
CAS RN: 4833-50-5
CAS Name: 7,14-diazadispiro[5.1.5^{8}.2^{6}]pentadecane-15-thione
OPENEYE Name: 7,14-diazadispiro[5.1.5^{8}.2^{6}]pentadecane-15-thione
IUPAC Name: 7,14-diazadispiro[5.1.5^{8}.2^{6}]pentadecane-15-thione
SYSTEMATIC NAME: 7,14-diazadispiro[5.1.5^{8}.2^{6}]pentadecane-15-thione
MOLECULAR FORMULA: C13H22N2S
MOLECULAR WEIGHT: 238.39218
SMILES: C1CCC2(CC1)C(=S)NC3(N2)CCCCC3
Structure:
CAS RN: 727-31-1
CAS Name: N-(4-fluorophenyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(4-fluorophenyl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(4-fluorophenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C13H12FNO2S
MOLECULAR WEIGHT: 265.303283
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F
Structure:
CAS RN: 397-91-1
CAS Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H15FN2
MOLECULAR WEIGHT: 266.312803
SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)F
Structure:
CAS RN: 6066-21-3
CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
OPENEYE Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-(6-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C17H16N2O2S2
MOLECULAR WEIGHT: 344.45114
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)CCCC4
Structure:
CAS RN: 6396-76-5
CAS Name: (2,6-dimethylphenyl)thiourea
OPENEYE Name: (2,6-dimethylphenyl)thiourea
IUPAC Name: (2,6-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1-(2,6-dimethylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=C(C(=CC=C1)C)NC(=S)N
Structure:
CAS RN: 1145-66-0
CAS Name: 1-(4-methylphenyl)-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-(p-tolyl)thiourea
IUPAC Name: 1-(4-methylphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H14N2S
MOLECULAR WEIGHT: 242.33936
SMILES: CC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 1932-37-2
CAS Name: 1-(3,4-dichlorophenyl)-3-phenylthiourea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H10Cl2N2S
MOLECULAR WEIGHT: 297.2029
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 41862-09-3
CAS Name: 6-amino-1-ethylpyrimidine-2,4-dione
OPENEYE Name: 6-amino-1-ethyl-pyrimidine-2,4-dione
IUPAC Name: 6-amino-1-ethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-ethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CCN1C(=CC(=O)NC1=O)N
Structure:
CAS RN: 56075-75-3
CAS Name: 6-amino-1-(2-methylpropyl)pyrimidine-2,4-dione
OPENEYE Name: 6-amino-1-isobutyl-pyrimidine-2,4-dione
IUPAC Name: 6-amino-1-(2-methylpropyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-methylpropyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H13N3O2
MOLECULAR WEIGHT: 183.20772
SMILES: CC(C)CN1C(=CC(=O)NC1=O)N
Structure:
CAS RN: 15863-25-9
CAS Name: 1-cyclohexyl-3-(4-ethoxyphenyl)thiourea
OPENEYE Name: 1-cyclohexyl-3-(4-ethoxyphenyl)thiourea
IUPAC Name: 1-cyclohexyl-3-(4-ethoxyphenyl)thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-(4-ethoxyphenyl)thiourea
MOLECULAR FORMULA: C15H22N2OS
MOLECULAR WEIGHT: 278.41298
SMILES: CCOC1=CC=C(C=C1)NC(=S)NC2CCCCC2
Structure:
CAS RN: 1132-44-1
CAS Name: N-[anilino(sulfanylidene)methyl]acetamide
OPENEYE Name: N-(phenylcarbamothioyl)acetamide
IUPAC Name: N-(phenylcarbamothioyl)acetamide
SYSTEMATIC NAME: N-(phenylcarbamothioyl)ethanamide
MOLECULAR FORMULA: C9H10N2OS
MOLECULAR WEIGHT: 194.2535
SMILES: CC(=O)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 57272-85-2
CAS Name: 2-fluoro-N-[(4-fluoroanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 2-fluoro-N-[(4-fluorophenyl)carbamothioyl]benzamide
IUPAC Name: 2-fluoro-N-[(4-fluorophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(4-fluorophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H10F2N2OS
MOLECULAR WEIGHT: 292.303806
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)F)F
Structure:
CAS RN: 69338-35-8
CAS Name: 4-oxo-4-(1-pyrrolidinyl)butanoic acid
OPENEYE Name: 4-oxo-4-pyrrolidin-1-yl-butanoic acid
IUPAC Name: 4-oxo-4-pyrrolidin-1-ylbutanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: C1CCN(C1)C(=O)CCC(=O)O
Structure:
CAS RN: 19340-42-2
CAS Name: 4-[[ethylamino(sulfanylidene)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(ethylcarbamothioylamino)benzoate
IUPAC Name: ethyl 4-(ethylcarbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(ethylcarbamothioylamino)benzoate
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: CCNC(=S)NC1=CC=C(C=C1)C(=O)OCC
Structure:
CAS RN: 16275-53-9
CAS Name: 1-(2-methylpropyl)-3-phenylthiourea
OPENEYE Name: 1-isobutyl-3-phenyl-thiourea
IUPAC Name: 1-(2-methylpropyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-methylpropyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C11H16N2S
MOLECULAR WEIGHT: 208.32314
SMILES: CC(C)CNC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 34773-66-5
CAS Name: (4-ethylphenyl)urea
OPENEYE Name: (4-ethylphenyl)urea
IUPAC Name: (4-ethylphenyl)urea
SYSTEMATIC NAME: 1-(4-ethylphenyl)urea
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CCC1=CC=C(C=C1)NC(=O)N
Structure:
CAS RN: 17073-35-7
CAS Name: 1-(3-hydroxyphenyl)-3-phenylthiourea
OPENEYE Name: 1-(3-hydroxyphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(3-hydroxyphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)O
Structure:
CAS RN: 7392-67-8
CAS Name: 1-(4-chlorophenyl)-3-phenylthiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H11ClN2S
MOLECULAR WEIGHT: 262.75784
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 7686-77-3
CAS Name: 1-cyclopent-3-enecarboxylic acid
OPENEYE Name: cyclopent-3-ene-1-carboxylic acid
IUPAC Name: cyclopent-3-ene-1-carboxylic acid
SYSTEMATIC NAME: cyclopent-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C1C=CCC1C(=O)O
Structure:
CAS RN: 111198-03-9
CAS Name: 1-[(phenylthio)methyl]benzotriazole
OPENEYE Name: 1-(phenylsulfanylmethyl)benzotriazole
IUPAC Name: 1-(phenylsulfanylmethyl)benzotriazole
SYSTEMATIC NAME: 1-(phenylsulfanylmethyl)benzotriazole
MOLECULAR FORMULA: C13H11N3S
MOLECULAR WEIGHT: 241.31154
SMILES: C1=CC=C(C=C1)SCN2C3=CC=CC=C3N=N2
Structure:
CAS RN: 33401-74-0
CAS Name: (3S)-3-hydroxy-3-phenylpropanoic acid ethyl ester
OPENEYE Name: ethyl (3S)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: ethyl (3S)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: ethyl (3S)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC(=O)C[C@@H](C1=CC=CC=C1)O
Structure:
CAS RN: 43041-11-8
CAS Name: (2S)-2-piperidinecarboxylic acid methyl ester
OPENEYE Name: methyl (2S)-piperidine-2-carboxylate
IUPAC Name: methyl (2S)-piperidine-2-carboxylate
SYSTEMATIC NAME: methyl (2S)-piperidine-2-carboxylate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: COC(=O)[C@@H]1CCCCN1
Structure:
CAS RN: 57500-07-9
CAS Name: 6-phenylmethoxy-7H-purine
OPENEYE Name: 6-benzyloxy-7H-purine
IUPAC Name: 6-phenylmethoxy-7H-purine
SYSTEMATIC NAME: 6-phenylmethoxy-7H-purine
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: C1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 6670-13-9
CAS Name: 4,5-diphenyl-3H-oxazole-2-thione
OPENEYE Name: 4,5-diphenyl-3H-oxazole-2-thione
IUPAC Name: 4,5-diphenyl-3H-1,3-oxazole-2-thione
SYSTEMATIC NAME: 4,5-diphenyl-3H-1,3-oxazole-2-thione
MOLECULAR FORMULA: C15H11NOS
MOLECULAR WEIGHT: 253.31894
SMILES: C1=CC=C(C=C1)C2=C(OC(=S)N2)C3=CC=CC=C3
Structure:
CAS RN: 5577-42-4
CAS Name: N-(2-methylphenyl)-4-morpholinecarboxamide
OPENEYE Name: N-(o-tolyl)morpholine-4-carboxamide
IUPAC Name: N-(2-methylphenyl)morpholine-4-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)morpholine-4-carboxamide
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC1=CC=CC=C1NC(=O)N2CCOCC2
Structure:
CAS RN: 104768-31-2
CAS Name: 2-[(4-ethoxyanilino)methyl]phenol
OPENEYE Name: 2-[(4-ethoxyanilino)methyl]phenol
IUPAC Name: 2-[(4-ethoxyanilino)methyl]phenol
SYSTEMATIC NAME: 2-[[(4-ethoxyphenyl)amino]methyl]phenol
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: CCOC1=CC=C(C=C1)NCC2=CC=CC=C2O
Structure:
CAS RN: 2990-02-5
CAS Name: (2,4-dimethylphenyl)urea
OPENEYE Name: (2,4-dimethylphenyl)urea
IUPAC Name: (2,4-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)urea
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=CC(=C(C=C1)NC(=O)N)C
Structure:
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