CAS RN: 923289-36-5
CAS Name: 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-3-chloro-4-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-3-chloranyl-4-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: CC(=O)C1=C(C(=C(C=C1)OC)Cl)N
Structure:
CAS RN: 50917-30-1
CAS Name: 3-amino-4,5-dichlorobenzoic acid
OPENEYE Name: 3-amino-4,5-dichloro-benzoic acid
IUPAC Name: 3-amino-4,5-dichlorobenzoic acid
SYSTEMATIC NAME: 3-azanyl-4,5-bis(chloranyl)benzoic acid
MOLECULAR FORMULA: C7H5Cl2NO2
MOLECULAR WEIGHT: 206.0261
SMILES: C1=C(C=C(C(=C1N)Cl)Cl)C(=O)O
Structure:
CAS RN: 875231-98-4
CAS Name: 2-chloro-7,8-dihydro-5H-pteridin-6-one
OPENEYE Name: 2-chloro-7,8-dihydro-5H-pteridin-6-one
IUPAC Name: 2-chloro-7,8-dihydro-5H-pteridin-6-one
SYSTEMATIC NAME: 2-chloranyl-7,8-dihydro-5H-pteridin-6-one
MOLECULAR FORMULA: C6H5ClN4O
MOLECULAR WEIGHT: 184.5831
SMILES: C1C(=O)NC2=CN=C(N=C2N1)Cl
Structure:
CAS RN: 1854-42-8
CAS Name: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
OPENEYE Name: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
IUPAC Name: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C6H8N4
MOLECULAR WEIGHT: 136.15452
SMILES: C1C2=C(CN1)N=CN=C2N
Structure:
CAS RN: 38025-90-0
CAS Name: 2-chloro-6-oxo-1H-pyridine-3-carboxylic acid
OPENEYE Name: 2-chloro-6-oxo-1H-pyridine-3-carboxylic acid
IUPAC Name: 2-chloro-6-oxo-1H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-6-oxidanylidene-1H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1=CC(=O)NC(=C1C(=O)O)Cl
Structure:
CAS RN: 1170194-07-6
CAS Name: 5-(dimethoxymethyl)-1-ethylpyrazole
OPENEYE Name: 5-(dimethoxymethyl)-1-ethyl-pyrazole
IUPAC Name: 5-(dimethoxymethyl)-1-ethylpyrazole
SYSTEMATIC NAME: 5-(dimethoxymethyl)-1-ethyl-pyrazole
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: CCN1C(=CC=N1)C(OC)OC
Structure:
CAS RN: 1003711-51-0
CAS Name: 2-chloro-5-fluoro-4-methyl-3-nitropyridine
OPENEYE Name: 2-chloro-5-fluoro-4-methyl-3-nitro-pyridine
IUPAC Name: 2-chloro-5-fluoro-4-methyl-3-nitropyridine
SYSTEMATIC NAME: 2-chloranyl-5-fluoranyl-4-methyl-3-nitro-pyridine
MOLECULAR FORMULA: C6H4ClFN2O2
MOLECULAR WEIGHT: 190.559563
SMILES: CC1=C(C(=NC=C1F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 215364-85-5
CAS Name: 3-bromo-2-chloro-4-pyridinamine
OPENEYE Name: 3-bromo-2-chloro-pyridin-4-amine
IUPAC Name: 3-bromo-2-chloropyridin-4-amine
SYSTEMATIC NAME: 3-bromanyl-2-chloranyl-pyridin-4-amine
MOLECULAR FORMULA: C5H4BrClN2
MOLECULAR WEIGHT: 207.45566
SMILES: C1=CN=C(C(=C1N)Br)Cl
Structure:
CAS RN: 885326-88-5
CAS Name: 6-amino-4-bromo-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-amino-4-bromo-pyridine-2-carboxylate
IUPAC Name: methyl 6-amino-4-bromopyridine-2-carboxylate
SYSTEMATIC NAME: methyl 6-azanyl-4-bromanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C7H7BrN2O2
MOLECULAR WEIGHT: 231.04668
SMILES: COC(=O)C1=NC(=CC(=C1)Br)N
Structure:
CAS RN: 139264-35-0
CAS Name: (4R)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
OPENEYE Name: (4R)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one
IUPAC Name: (4R)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C15H19N3O2
MOLECULAR WEIGHT: 273.33026
SMILES: CNCCC1=CNC2=C1C=C(C=C2)C[C@@H]3COC(=O)N3
Structure:
CAS RN: 93963-88-3
CAS Name: 7-methyl-N-(2-methylpropyl)-1-octanamine
OPENEYE Name: N-isobutyl-7-methyl-octan-1-amine
IUPAC Name: 7-methyl-N-(2-methylpropyl)octan-1-amine
SYSTEMATIC NAME: 7-methyl-N-(2-methylpropyl)octan-1-amine
MOLECULAR FORMULA: C13H29N
MOLECULAR WEIGHT: 199.37606
SMILES: CC(C)CCCCCCNCC(C)C
Structure:
CAS RN: 72217-12-0
CAS Name: (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid
OPENEYE Name: (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetic acid
IUPAC Name: (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid
SYSTEMATIC NAME: (2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoic acid
MOLECULAR FORMULA: C5H6N4O3S
MOLECULAR WEIGHT: 202.19114
SMILES: CO/N=C(\C1=NSC(=N1)N)/C(=O)O
Structure:
CAS RN: 206347-32-2
CAS Name: 1,3-dibromo-2-(2-bromoethoxy)benzene
OPENEYE Name: 1,3-dibromo-2-(2-bromoethoxy)benzene
IUPAC Name: 1,3-dibromo-2-(2-bromoethoxy)benzene
SYSTEMATIC NAME: 1,3-bis(bromanyl)-2-(2-bromoethyloxy)benzene
MOLECULAR FORMULA: C8H7Br3O
MOLECULAR WEIGHT: 358.85258
SMILES: C1=CC(=C(C(=C1)Br)OCCBr)Br
Structure:
CAS RN: 869198-95-8
CAS Name: 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
IUPAC Name: tert-butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: tert-butyl 2-azanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C12H18N4O2
MOLECULAR WEIGHT: 250.29692
SMILES: CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N
Structure:
CAS RN: 93963-89-4
CAS Name: N-(7-methyloctyl)cyclohexanamine
OPENEYE Name: N-(7-methyloctyl)cyclohexanamine
IUPAC Name: N-(7-methyloctyl)cyclohexanamine
SYSTEMATIC NAME: N-(7-methyloctyl)cyclohexanamine
MOLECULAR FORMULA: C15H31N
MOLECULAR WEIGHT: 225.41334
SMILES: CC(C)CCCCCCNC1CCCCC1
Structure:
CAS RN: 854382-06-2
CAS Name: 2-(pyridin-4-ylmethylamino)-3-pyridinecarboxylic acid
OPENEYE Name: 2-(4-pyridylmethylamino)pyridine-3-carboxylic acid
IUPAC Name: 2-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: C1=CC(=C(N=C1)NCC2=CC=NC=C2)C(=O)O
Structure:
CAS RN: 57461-53-7
CAS Name: 2-[(3-nitro-2-pyridinyl)amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[(3-nitro-2-pyridyl)amino]acetate
IUPAC Name: methyl 2-[(3-nitropyridin-2-yl)amino]acetate
SYSTEMATIC NAME: methyl 2-[(3-nitropyridin-2-yl)amino]ethanoate
MOLECULAR FORMULA: C8H9N3O4
MOLECULAR WEIGHT: 211.17476
SMILES: COC(=O)CNC1=C(C=CC=N1)[N+](=O)[O-]
Structure:
CAS RN: 106291-25-2
CAS Name: 4-(3-fluoro-4-methoxyphenyl)benzoate
OPENEYE Name: 4-(3-fluoro-4-methoxy-phenyl)benzoate
IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)benzoate
SYSTEMATIC NAME: 4-(3-fluoranyl-4-methoxy-phenyl)benzoate
MOLECULAR FORMULA: C14H10FO3-
MOLECULAR WEIGHT: 245.225803
SMILES: COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F
Structure:
CAS RN: 1039945-68-0
CAS Name: 5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinamine
OPENEYE Name: 5-(2,2,3,3-tetrafluoropropoxy)pyridin-2-amine
IUPAC Name: 5-(2,2,3,3-tetrafluoropropoxy)pyridin-2-amine
SYSTEMATIC NAME: 5-[2,2,3,3-tetrakis(fluoranyl)propoxy]pyridin-2-amine
MOLECULAR FORMULA: C8H8F4N2O
MOLECULAR WEIGHT: 224.155533
SMILES: C1=CC(=NC=C1OCC(C(F)F)(F)F)N
Structure:
CAS RN: 7170-52-7
CAS Name: 5-(3-chlorophenoxy)pentanoic acid
OPENEYE Name: 5-(3-chlorophenoxy)pentanoic acid
IUPAC Name: 5-(3-chlorophenoxy)pentanoic acid
SYSTEMATIC NAME: 5-(3-chloranylphenoxy)pentanoic acid
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: C1=CC(=CC(=C1)Cl)OCCCCC(=O)O
Structure:
CAS RN: 153138-05-7
CAS Name: 2-methyl-5-oxazolecarboxaldehyde
OPENEYE Name: 2-methyloxazole-5-carbaldehyde
IUPAC Name: 2-methyl-1,3-oxazole-5-carbaldehyde
SYSTEMATIC NAME: 2-methyl-1,3-oxazole-5-carbaldehyde
MOLECULAR FORMULA: C5H5NO2
MOLECULAR WEIGHT: 111.0987
SMILES: CC1=NC=C(O1)C=O
Structure:
CAS RN: 1037131-77-3
CAS Name: [1-(3-fluorophenyl)cyclobutyl]methanamine
OPENEYE Name: [1-(3-fluorophenyl)cyclobutyl]methanamine
IUPAC Name: [1-(3-fluorophenyl)cyclobutyl]methanamine
SYSTEMATIC NAME: [1-(3-fluorophenyl)cyclobutyl]methanamine
MOLECULAR FORMULA: C11H14FN
MOLECULAR WEIGHT: 179.233963
SMILES: C1CC(C1)(CN)C2=CC(=CC=C2)F
Structure:
CAS RN: 98489-36-2
CAS Name: (4,6-dimethyl-3-pyridinyl)methanamine
OPENEYE Name: (4,6-dimethyl-3-pyridyl)methanamine
IUPAC Name: (4,6-dimethylpyridin-3-yl)methanamine
SYSTEMATIC NAME: (4,6-dimethylpyridin-3-yl)methanamine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC1=CC(=NC=C1CN)C
Structure:
CAS RN: 912773-24-1
CAS Name: 6-bromoimidazo[1,2-a]pyrazine
OPENEYE Name: 6-bromoimidazo[1,2-a]pyrazine
IUPAC Name: 6-bromoimidazo[1,2-a]pyrazine
SYSTEMATIC NAME: 6-bromanylimidazo[1,2-a]pyrazine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CN2C=C(N=CC2=N1)Br
Structure:
CAS RN: 675590-22-4
CAS Name: 3-bromo-5-(4-chlorophenyl)pyridine
OPENEYE Name: 3-bromo-5-(4-chlorophenyl)pyridine
IUPAC Name: 3-bromo-5-(4-chlorophenyl)pyridine
SYSTEMATIC NAME: 3-bromanyl-5-(4-chlorophenyl)pyridine
MOLECULAR FORMULA: C11H7BrClN
MOLECULAR WEIGHT: 268.53698
SMILES: C1=CC(=CC=C1C2=CC(=CN=C2)Br)Cl
Structure:
CAS RN: 944401-56-3
CAS Name: 5-bromo-4-(trifluoromethyl)-2-pyridinamine
OPENEYE Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine
IUPAC Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-4-(trifluoromethyl)pyridin-2-amine
MOLECULAR FORMULA: C6H4BrF3N2
MOLECULAR WEIGHT: 241.00857
SMILES: C1=C(C(=CN=C1N)Br)C(F)(F)F
Structure:
CAS RN: 143945-65-7
CAS Name: 2-amino-5-bromo-4-fluorobenzoic acid
OPENEYE Name: 2-amino-5-bromo-4-fluoro-benzoic acid
IUPAC Name: 2-amino-5-bromo-4-fluorobenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-bromanyl-4-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H5BrFNO2
MOLECULAR WEIGHT: 234.022503
SMILES: C1=C(C(=CC(=C1Br)F)N)C(=O)O
Structure:
CAS RN: 874779-57-4
CAS Name: 4-amino-3-bromo-5-chlorobenzoic acid
OPENEYE Name: 4-amino-3-bromo-5-chloro-benzoic acid
IUPAC Name: 4-amino-3-bromo-5-chlorobenzoic acid
SYSTEMATIC NAME: 4-azanyl-3-bromanyl-5-chloranyl-benzoic acid
MOLECULAR FORMULA: C7H5BrClNO2
MOLECULAR WEIGHT: 250.4771
SMILES: C1=C(C=C(C(=C1Cl)N)Br)C(=O)O
Structure:
CAS RN: 874880-58-7
CAS Name: 4-amino-3-bromo-5-fluorobenzonitrile
OPENEYE Name: 4-amino-3-bromo-5-fluoro-benzonitrile
IUPAC Name: 4-amino-3-bromo-5-fluorobenzonitrile
SYSTEMATIC NAME: 4-azanyl-3-bromanyl-5-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H4BrFN2
MOLECULAR WEIGHT: 215.022463
SMILES: C1=C(C=C(C(=C1F)N)Br)C#N
Structure:
CAS RN: 59834-40-1
CAS Name: (2S)-1-[oxo(pyridin-4-yl)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-pyridin-4-ylcarbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=NC=C2)C(=O)O
Structure:
CAS RN: 1049606-80-5
CAS Name: 1-chloro-3-isoquinolinecarboxylic acid
OPENEYE Name: 1-chloroisoquinoline-3-carboxylic acid
IUPAC Name: 1-chloroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-chloranylisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC=C2C(=C1)C=C(N=C2Cl)C(=O)O
Structure:
CAS RN: 660411-95-0
CAS Name: 5-amino-1H-indazole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 5-amino-1H-indazole-3-carboxylate
IUPAC Name: methyl 5-amino-1H-indazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-azanyl-1H-indazole-3-carboxylate
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC(=O)C1=NNC2=C1C=C(C=C2)N
Structure:
CAS RN: 1042777-99-0
CAS Name: 5-[2-(1-pyrrolidinyl)ethylthio]-2-thiazolamine
OPENEYE Name: 5-(2-pyrrolidin-1-ylethylsulfanyl)thiazol-2-amine
IUPAC Name: 5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H15N3S2
MOLECULAR WEIGHT: 229.3655
SMILES: C1CCN(C1)CCSC2=CN=C(S2)N
Structure:
CAS RN: 1021144-32-0
CAS Name: 4-(2-methyl-1-benzimidazolyl)benzoic acid
OPENEYE Name: 4-(2-methylbenzimidazol-1-yl)benzoic acid
IUPAC Name: 4-(2-methylbenzimidazol-1-yl)benzoic acid
SYSTEMATIC NAME: 4-(2-methylbenzimidazol-1-yl)benzoic acid
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)C(=O)O
Structure:
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