CAS RN: 7149-03-3
CAS Name: 4-amino-3-bromobenzoic acid ethyl ester
OPENEYE Name: ethyl 4-amino-3-bromo-benzoate
IUPAC Name: ethyl 4-amino-3-bromobenzoate
SYSTEMATIC NAME: ethyl 4-azanyl-3-bromanyl-benzoate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: CCOC(=O)C1=CC(=C(C=C1)N)Br
Structure:
CAS RN: 85903-66-8
CAS Name: 2-[4-[oxo(1-piperidinyl)methyl]anilino]acetonitrile
OPENEYE Name: 2-[4-(piperidine-1-carbonyl)anilino]acetonitrile
IUPAC Name: 2-[4-(piperidine-1-carbonyl)anilino]acetonitrile
SYSTEMATIC NAME: 2-[(4-piperidin-1-ylcarbonylphenyl)amino]ethanenitrile
MOLECULAR FORMULA: C14H17N3O
MOLECULAR WEIGHT: 243.30428
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCC#N
Structure:
CAS RN: 831-29-8
CAS Name: 6-chloro-2-(dimethylamino)-1H-quinazolin-4-one
OPENEYE Name: 6-chloro-2-(dimethylamino)-1H-quinazolin-4-one
IUPAC Name: 6-chloro-2-(dimethylamino)-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-chloranyl-2-(dimethylamino)-1H-quinazolin-4-one
MOLECULAR FORMULA: C10H10ClN3O
MOLECULAR WEIGHT: 223.6589
SMILES: CN(C)C1=NC(=O)C2=C(N1)C=CC(=C2)Cl
Structure:
CAS RN: 2131-57-9
CAS Name: 1-(4-isothiocyanatophenyl)ethanone
OPENEYE Name: 1-(4-isothiocyanatophenyl)ethanone
IUPAC Name: 1-(4-isothiocyanatophenyl)ethanone
SYSTEMATIC NAME: 1-(4-isothiocyanatophenyl)ethanone
MOLECULAR FORMULA: C9H7NOS
MOLECULAR WEIGHT: 177.22298
SMILES: CC(=O)C1=CC=C(C=C1)N=C=S
Structure:
CAS RN: 7144-49-2
CAS Name: 2-methylsulfonyl-1,3-benzothiazole
OPENEYE Name: 2-methylsulfonyl-1,3-benzothiazole
IUPAC Name: 2-methylsulfonyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-methylsulfonyl-1,3-benzothiazole
MOLECULAR FORMULA: C8H7NO2S2
MOLECULAR WEIGHT: 213.27668
SMILES: CS(=O)(=O)C1=NC2=CC=CC=C2S1
Structure:
CAS RN: 6943-07-3
CAS Name: 1-(2-ethyl-1-naphthalenyl)-1-propanone
OPENEYE Name: 1-(2-ethyl-1-naphthyl)propan-1-one
IUPAC Name: 1-(2-ethylnaphthalen-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(2-ethylnaphthalen-1-yl)propan-1-one
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CCC1=C(C2=CC=CC=C2C=C1)C(=O)CC
Structure:
CAS RN: 105822-23-9
CAS Name: 1-(2-ethyl-1-naphthalenyl)-1-propanone
OPENEYE Name: 1-(2-ethyl-1-naphthyl)propan-1-one
IUPAC Name: 1-(2-ethylnaphthalen-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(2-ethylnaphthalen-1-yl)propan-1-one
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CCC1=C(C2=CC=CC=C2C=C1)C(=O)CC
Structure:
CAS RN: 6942-98-9
CAS Name: 5-chloro-8-nitroquinoline
OPENEYE Name: 5-chloro-8-nitro-quinoline
IUPAC Name: 5-chloro-8-nitroquinoline
SYSTEMATIC NAME: 5-chloranyl-8-nitro-quinoline
MOLECULAR FORMULA: C9H5ClN2O2
MOLECULAR WEIGHT: 208.6012
SMILES: C1=CC2=C(C=CC(=C2N=C1)[N+](=O)[O-])Cl
Structure:
CAS RN: 446-26-4
CAS Name: 2-fluoro-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-fluoropyridine-3-carboxylate
IUPAC Name: methyl 2-fluoropyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-fluoranylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H6FNO2
MOLECULAR WEIGHT: 155.126443
SMILES: COC(=O)C1=C(N=CC=C1)F
Structure:
CAS RN: 6636-55-1
CAS Name: 6-chloro-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-chloropyridine-2-carboxylate
IUPAC Name: methyl 6-chloropyridine-2-carboxylate
SYSTEMATIC NAME: methyl 6-chloranylpyridine-2-carboxylate
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: COC(=O)C1=NC(=CC=C1)Cl
Structure:
CAS RN: 2369-18-8
CAS Name: 2-fluoro-3-methylpyridine
OPENEYE Name: 2-fluoro-3-methyl-pyridine
IUPAC Name: 2-fluoro-3-methylpyridine
SYSTEMATIC NAME: 2-fluoranyl-3-methyl-pyridine
MOLECULAR FORMULA: C6H6FN
MOLECULAR WEIGHT: 111.116943
SMILES: CC1=C(N=CC=C1)F
Structure:
CAS RN: 19621-92-2
CAS Name: 6-oxo-1H-pyridine-2-carboxylic acid
OPENEYE Name: 6-oxo-1H-pyridine-2-carboxylic acid
IUPAC Name: 6-oxo-1H-pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-oxidanylidene-1H-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=CC(=O)NC(=C1)C(=O)O
Structure:
CAS RN: 7597-74-2
CAS Name: 1-(carboxymethyl)-9-methoxy-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthrene-2-carboxylic acid
OPENEYE Name: 1-(carboxymethyl)-9-methoxy-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthrene-2-carboxylic acid
IUPAC Name: 1-(carboxymethyl)-9-methoxy-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthrene-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-hydroxy-2-oxoethyl)-9-methoxy-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthrene-2-carboxylic acid
MOLECULAR FORMULA: C19H24O5
MOLECULAR WEIGHT: 332.39086
SMILES: CC1(CCC2=C3CCCCC3=C(C=C2C1CC(=O)O)OC)C(=O)O
Structure:
CAS RN: 91926-58-8
CAS Name: 2-(2-methoxycarbonyl-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthren-1-yl)acetic acid
OPENEYE Name: 2-(2-methoxycarbonyl-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthren-1-yl)acetic acid
IUPAC Name: 2-(2-methoxycarbonyl-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthren-1-yl)acetic acid
SYSTEMATIC NAME: 2-(2-methoxycarbonyl-2-methyl-3,4,5,6,7,8-hexahydro-1H-phenanthren-1-yl)ethanoic acid
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC1(CCC2=C(C1CC(=O)O)C=CC3=C2CCCC3)C(=O)OC
Structure:
CAS RN: 6636-46-0
CAS Name: 1-(carboxymethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
OPENEYE Name: 1-(carboxymethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
IUPAC Name: 1-(carboxymethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-hydroxy-2-oxoethyl)-6-methoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CC1(CCC2=C(C1CC(=O)O)C=CC3=C2C=C(C=C3)OC)C(=O)O
Structure:
CAS RN: 7597-64-0
CAS Name: 1,2-dihydroxy-5,8-bis(4-methylanilino)anthracene-9,10-dione
OPENEYE Name: 1,2-dihydroxy-5,8-bis(4-methylanilino)anthracene-9,10-dione
IUPAC Name: 1,2-dihydroxy-5,8-bis(4-methylanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 5,8-bis[(4-methylphenyl)amino]-1,2-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C28H22N2O4
MOLECULAR WEIGHT: 450.48528
SMILES: CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC(=C5O)O
Structure:
CAS RN: 1975-39-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H15N3
MOLECULAR WEIGHT: 213.2783
SMILES: C1CC2CC1C3C2N(N=N3)C4=CC=CC=C4
Structure:
CAS RN: 53393-71-8
CAS Name: 1-hydroxy-2-phenylethanesulfonic acid
OPENEYE Name: 1-hydroxy-2-phenyl-ethanesulfonic acid
IUPAC Name: 1-hydroxy-2-phenylethanesulfonic acid
SYSTEMATIC NAME: 1-oxidanyl-2-phenyl-ethanesulfonic acid
MOLECULAR FORMULA: C8H10O4S
MOLECULAR WEIGHT: 202.2276
SMILES: C1=CC=C(C=C1)CC(O)S(=O)(=O)O
Structure:
CAS RN: 485-65-4
CAS Name: (3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
OPENEYE Name: (3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
IUPAC Name: (3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
SYSTEMATIC NAME: (3R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-3-carboxylic acid
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: COC1=CC2=C(C=C1)[C@@H]3CC[C@H](CN3CC2)C(=O)O
Structure:
CAS RN: 42204-31-9
CAS Name: 2-[(2-amino-9-propyl-6-purinyl)thio]acetic acid
OPENEYE Name: 2-(2-amino-9-propyl-purin-6-yl)sulfanylacetic acid
IUPAC Name: 2-(2-amino-9-propylpurin-6-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2-azanyl-9-propyl-purin-6-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C10H13N5O2S
MOLECULAR WEIGHT: 267.30752
SMILES: CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N
Structure:
CAS RN: 5415-27-0
CAS Name: 2-[(2-amino-9-propyl-6-purinyl)thio]acetic acid
OPENEYE Name: 2-(2-amino-9-propyl-purin-6-yl)sulfanylacetic acid
IUPAC Name: 2-(2-amino-9-propylpurin-6-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(2-azanyl-9-propyl-purin-6-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C10H13N5O2S
MOLECULAR WEIGHT: 267.30752
SMILES: CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N
Structure:
CAS RN: 707-99-3
CAS Name: 2-(6-aminopurin-9-yl)ethanol
OPENEYE Name: 2-(6-aminopurin-9-yl)ethanol
IUPAC Name: 2-(6-aminopurin-9-yl)ethanol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)ethanol
MOLECULAR FORMULA: C7H9N5O
MOLECULAR WEIGHT: 179.17926
SMILES: C1=NC2=C(C(=N1)N)N=CN2CCO
Structure:
CAS RN: 7251-17-4
CAS Name: 2-[(4-nitrophenyl)methylthio]acetic acid
OPENEYE Name: 2-[(4-nitrophenyl)methylsulfanyl]acetic acid
IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)methylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C9H9NO4S
MOLECULAR WEIGHT: 227.23706
SMILES: C1=CC(=CC=C1CSCC(=O)O)[N+](=O)[O-]
Structure:
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