CAS RN: 1076-16-0
CAS Name: 5-chloro-1H-cinnolin-4-one
OPENEYE Name: 5-chloro-1H-cinnolin-4-one
IUPAC Name: 5-chloro-1H-cinnolin-4-one
SYSTEMATIC NAME: 5-chloranyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5ClN2O
MOLECULAR WEIGHT: 180.5911
SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C=NN2
Structure:
CAS RN: 876-74-4
CAS Name: 8-bromo-1H-cinnolin-4-one
OPENEYE Name: 8-bromo-1H-cinnolin-4-one
IUPAC Name: 8-bromo-1H-cinnolin-4-one
SYSTEMATIC NAME: 8-bromanyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=C(C(=C1)Br)NN=CC2=O
Structure:
CAS RN: 876-88-0
CAS Name: 6-bromo-1H-cinnolin-4-one
OPENEYE Name: 6-bromo-1H-cinnolin-4-one
IUPAC Name: 6-bromo-1H-cinnolin-4-one
SYSTEMATIC NAME: 6-bromanyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=C(C=C1Br)C(=O)C=NN2
Structure:
CAS RN: 552330-87-7
CAS Name: 6-bromo-1H-cinnolin-4-one
OPENEYE Name: 6-bromo-1H-cinnolin-4-one
IUPAC Name: 6-bromo-1H-cinnolin-4-one
SYSTEMATIC NAME: 6-bromanyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=C(C=C1Br)C(=O)C=NN2
Structure:
CAS RN: 876-76-6
CAS Name: 8-fluoro-1H-cinnolin-4-one
OPENEYE Name: 8-fluoro-1H-cinnolin-4-one
IUPAC Name: 8-fluoro-1H-cinnolin-4-one
SYSTEMATIC NAME: 8-fluoranyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5FN2O
MOLECULAR WEIGHT: 164.136503
SMILES: C1=CC2=C(C(=C1)F)NN=CC2=O
Structure:
CAS RN: 876-75-5
CAS Name: 8-chloro-1H-cinnolin-4-one
OPENEYE Name: 8-chloro-1H-cinnolin-4-one
IUPAC Name: 8-chloro-1H-cinnolin-4-one
SYSTEMATIC NAME: 8-chloranyl-1H-cinnolin-4-one
MOLECULAR FORMULA: C8H5ClN2O
MOLECULAR WEIGHT: 180.5911
SMILES: C1=CC2=C(C(=C1)Cl)NN=CC2=O
Structure:
CAS RN: 25086-89-9
CAS Name: acetic acid ethenyl ester; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: vinyl acetate; 1-vinylpyrrolidin-2-one
IUPAC Name: ethenyl acetate; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: ethenyl ethanoate; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC(=O)OC=C.C=CN1CCCC1=O
Structure:
CAS RN: 37359-37-8
CAS Name: acetic acid ethenyl ester; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: vinyl acetate; 1-vinylpyrrolidin-2-one
IUPAC Name: ethenyl acetate; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: ethenyl ethanoate; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC(=O)OC=C.C=CN1CCCC1=O
Structure:
CAS RN: 8013-98-7
CAS Name: acetic acid ethenyl ester; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: vinyl acetate; 1-vinylpyrrolidin-2-one
IUPAC Name: ethenyl acetate; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: ethenyl ethanoate; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC(=O)OC=C.C=CN1CCCC1=O
Structure:
CAS RN: 89335-67-1
CAS Name: acetic acid ethenyl ester; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: vinyl acetate; 1-vinylpyrrolidin-2-one
IUPAC Name: ethenyl acetate; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: ethenyl ethanoate; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC(=O)OC=C.C=CN1CCCC1=O
Structure:
CAS RN: 1227-49-2
CAS Name: 3-[(3-carboxyphenyl)disulfanyl]benzoic acid
OPENEYE Name: 3-[(3-carboxyphenyl)disulfanyl]benzoic acid
IUPAC Name: 3-[(3-carboxyphenyl)disulfanyl]benzoic acid
SYSTEMATIC NAME: 3-[(3-carboxyphenyl)disulfanyl]benzoic acid
MOLECULAR FORMULA: C14H10O4S2
MOLECULAR WEIGHT: 306.3568
SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)C(=O)O)C(=O)O
Structure:
CAS RN: 5537-72-4
CAS Name: 3-(phenylthio)benzoic acid
OPENEYE Name: 3-phenylsulfanylbenzoic acid
IUPAC Name: 3-phenylsulfanylbenzoic acid
SYSTEMATIC NAME: 3-phenylsulfanylbenzoic acid
MOLECULAR FORMULA: C13H10O2S
MOLECULAR WEIGHT: 230.2823
SMILES: C1=CC=C(C=C1)SC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 5537-74-6
CAS Name: 3-(ethylthio)benzoic acid
OPENEYE Name: 3-ethylsulfanylbenzoic acid
IUPAC Name: 3-ethylsulfanylbenzoic acid
SYSTEMATIC NAME: 3-ethylsulfanylbenzoic acid
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CCSC1=CC=CC(=C1)C(=O)O
Structure:
CAS RN: 50685-26-2
CAS Name: 4-(cyanomethyl)benzoic acid
OPENEYE Name: 4-(cyanomethyl)benzoic acid
IUPAC Name: 4-(cyanomethyl)benzoic acid
SYSTEMATIC NAME: 4-(cyanomethyl)benzoic acid
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1=CC(=CC=C1CC#N)C(=O)O
Structure:
CAS RN: 2763-78-2
CAS Name: 1-cyclohexyl-2-oxa-1-azaspiro[2.5]octane
OPENEYE Name: 1-cyclohexyl-2-oxa-1-azaspiro[2.5]octane
IUPAC Name: 1-cyclohexyl-2-oxa-1-azaspiro[2.5]octane
SYSTEMATIC NAME: 1-cyclohexyl-2-oxa-1-azaspiro[2.5]octane
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: C1CCC(CC1)N2C3(O2)CCCCC3
Structure:
CAS RN: 54267-53-7
CAS Name: 2-[hydroxy(methyl)amino]acetic acid
OPENEYE Name: 2-[hydroxy(methyl)amino]acetic acid
IUPAC Name: 2-[hydroxy(methyl)amino]acetic acid
SYSTEMATIC NAME: 2-[methyl(oxidanyl)amino]ethanoic acid
MOLECULAR FORMULA: C3H7NO3
MOLECULAR WEIGHT: 105.09258
SMILES: CN(CC(=O)O)O
Structure:
CAS RN: 37140-99-1
CAS Name: N-(carboxymethyl)-2-cyano-N-methylethanamine oxide
OPENEYE Name: N-(carboxymethyl)-2-cyano-N-methyl-ethanamine oxide
IUPAC Name: N-(carboxymethyl)-2-cyano-N-methylethanamine oxide
SYSTEMATIC NAME: 2-cyano-N-(2-hydroxy-2-oxoethyl)-N-methyl-ethanamine oxide
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: C[N+](CCC#N)(CC(=O)O)[O-]
Structure:
CAS RN: 20201-55-2
CAS Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile
OPENEYE Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-6-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H12BrN5O4
MOLECULAR WEIGHT: 370.15878
SMILES: C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)Br)C#N)C(=N1)N
Structure:
CAS RN: 20201-56-3
CAS Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide
OPENEYE Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-6-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C12H14BrN5O5
MOLECULAR WEIGHT: 388.17406
SMILES: C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)Br)C(=O)N)C(=N1)N
Structure:
CAS RN: 567-02-2
CAS Name: 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
OPENEYE Name: 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
IUPAC Name: 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
SYSTEMATIC NAME: 1-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
Structure:
CAS RN: 34067-35-1
CAS Name: 4-bromobutane-1,2-diol
OPENEYE Name: 4-bromobutane-1,2-diol
IUPAC Name: 4-bromobutane-1,2-diol
SYSTEMATIC NAME: 4-bromanylbutane-1,2-diol
MOLECULAR FORMULA: C4H9BrO2
MOLECULAR WEIGHT: 169.01706
SMILES: C(CBr)C(CO)O
Structure:
CAS RN: 13209-38-6
CAS Name: (2-aminophenyl)-phenylmethanol
OPENEYE Name: (2-aminophenyl)-phenyl-methanol
IUPAC Name: (2-aminophenyl)-phenylmethanol
SYSTEMATIC NAME: (2-aminophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2N)O
Structure:
CAS RN: 13230-97-2
CAS Name: (2-aminophenyl)-phenylmethanol
OPENEYE Name: (2-aminophenyl)-phenyl-methanol
IUPAC Name: (2-aminophenyl)-phenylmethanol
SYSTEMATIC NAME: (2-aminophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2N)O
Structure:
CAS RN: 23521-02-0
CAS Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]disulfanyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C20H22N8O8S2
MOLECULAR WEIGHT: 566.56748
SMILES: C1=NC2=C(C(=N1)SSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N=CN2C6C(C(C(O6)CO)O)O
Structure:
CAS RN: 13265-04-8
CAS Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]disulfanyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C20H22N8O8S2
MOLECULAR WEIGHT: 566.56748
SMILES: C1=NC2=C(C(=N1)SSC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N=CN2C6C(C(C(O6)CO)O)O
Structure:
CAS RN: 25844-54-6
CAS Name: 6,6-dimethyl-5-phenyl-5H-furo[2,3-d]pyrimidin-4-amine
OPENEYE Name: 6,6-dimethyl-5-phenyl-5H-furo[2,3-d]pyrimidin-4-amine
IUPAC Name: 6,6-dimethyl-5-phenyl-5H-furo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6,6-dimethyl-5-phenyl-5H-furo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CC1(C(C2=C(N=CN=C2O1)N)C3=CC=CC=C3)C
Structure:
CAS RN: 28527-83-5
CAS Name: 2,4,11,12,13,14,15,17-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
OPENEYE Name: 2,4,11,12,13,14,15,17-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
IUPAC Name: 2,4,11,12,13,14,15,17-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
SYSTEMATIC NAME: 2,4,11,12,13,14,15,17-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: C1CC2=C(C=CC3=C2CCC(=O)C3)C4C1CC(=O)C4
Structure:
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