CAS RN: 20419-73-2
CAS Name: 7-bromo-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
OPENEYE Name: 7-bromo-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
IUPAC Name: 7-bromo-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 7-bromanyl-2,4-bis(oxidanylidene)-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C7H4BrN3O4
MOLECULAR WEIGHT: 274.02836
SMILES: C12=C(C(=O)NC(=O)N1)NC(=C2Br)C(=O)O
Structure:
CAS RN: 357-83-5
CAS Name: 1,1,1,2,2,3,3-heptafluoro-5-nitro-4-(nitromethyl)pentane
OPENEYE Name: 1,1,1,2,2,3,3-heptafluoro-5-nitro-4-(nitromethyl)pentane
IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-5-nitro-4-(nitromethyl)pentane
SYSTEMATIC NAME: 1,1,1,2,2,3,3-heptakis(fluoranyl)-5-nitro-4-(nitromethyl)pentane
MOLECULAR FORMULA: C6H5F7N2O4
MOLECULAR WEIGHT: 302.103722
SMILES: C(C(C[N+](=O)[O-])C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 939-16-2
CAS Name: 3-bromo-1H-quinolin-2-one
OPENEYE Name: 3-bromo-1H-quinolin-2-one
IUPAC Name: 3-bromo-1H-quinolin-2-one
SYSTEMATIC NAME: 3-bromanyl-1H-quinolin-2-one
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC=C2C(=C1)C=C(C(=O)N2)Br
Structure:
CAS RN: 103427-75-4
CAS Name: 2-(4-methyl-2-oxo-1-quinolinyl)acetic acid
OPENEYE Name: 2-(4-methyl-2-oxo-1-quinolyl)acetic acid
IUPAC Name: 2-(4-methyl-2-oxoquinolin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(4-methyl-2-oxidanylidene-quinolin-1-yl)ethanoic acid
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: CC1=CC(=O)N(C2=CC=CC=C12)CC(=O)O
Structure:
CAS RN: 5659-19-8
CAS Name: 2-ethyl-3-oxo-N-phenylhexanamide
OPENEYE Name: 2-ethyl-3-oxo-N-phenyl-hexanamide
IUPAC Name: 2-ethyl-3-oxo-N-phenylhexanamide
SYSTEMATIC NAME: 2-ethyl-3-oxidanylidene-N-phenyl-hexanamide
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCCC(=O)C(CC)C(=O)NC1=CC=CC=C1
Structure:
CAS RN: 1657-34-7
CAS Name: 3-oxo-N-(3-pyridinyl)butanamide
OPENEYE Name: 3-oxo-N-(3-pyridyl)butanamide
IUPAC Name: 3-oxo-N-pyridin-3-ylbutanamide
SYSTEMATIC NAME: 3-oxidanylidene-N-pyridin-3-yl-butanamide
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CC(=O)CC(=O)NC1=CN=CC=C1
Structure:
CAS RN: 5398-91-4
CAS Name: 1,4,7-trimethyl-2-quinolinone
OPENEYE Name: 1,4,7-trimethylquinolin-2-one
IUPAC Name: 1,4,7-trimethylquinolin-2-one
SYSTEMATIC NAME: 1,4,7-trimethylquinolin-2-one
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CC1=CC2=C(C=C1)C(=CC(=O)N2C)C
Structure:
CAS RN: 25962-05-4
CAS Name: 1,4-dimethyl-2-quinolinethione
OPENEYE Name: 1,4-dimethylquinoline-2-thione
IUPAC Name: 1,4-dimethylquinoline-2-thione
SYSTEMATIC NAME: 1,4-dimethylquinoline-2-thione
MOLECULAR FORMULA: C11H11NS
MOLECULAR WEIGHT: 189.27674
SMILES: CC1=CC(=S)N(C2=CC=CC=C12)C
Structure:
CAS RN: 1208-65-7
CAS Name: 4-bromo-3-oxo-N-phenylbutanamide
OPENEYE Name: 4-bromo-3-oxo-N-phenyl-butanamide
IUPAC Name: 4-bromo-3-oxo-N-phenylbutanamide
SYSTEMATIC NAME: 4-bromanyl-3-oxidanylidene-N-phenyl-butanamide
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: C1=CC=C(C=C1)NC(=O)CC(=O)CBr
Structure:
CAS RN: 520-84-3
CAS Name: 2,11,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: 2,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: 2,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-2,11,17-tris(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C(CC34C)O)O
Structure:
CAS RN: 38090-95-8
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H29FO4
MOLECULAR WEIGHT: 376.461663
SMILES: CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)CC4)C)F)O)C)(C(=O)C)O
Structure:
CAS RN: 15448-90-5
CAS Name: 2,3-dimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
OPENEYE Name: 2,3-dimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
IUPAC Name: 2,3-dimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
SYSTEMATIC NAME: 2,3-dimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
MOLECULAR FORMULA: C15H15NO2S
MOLECULAR WEIGHT: 273.3501
SMILES: CC1(C2=CC=CC=C2S(=O)(=O)N1C)C3=CC=CC=C3
Structure:
CAS RN: 15448-89-2
CAS Name: 2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide
OPENEYE Name: 2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide
IUPAC Name: 2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide
SYSTEMATIC NAME: 2,3,3-triphenyl-1,2-benzothiazole 1,1-dioxide
MOLECULAR FORMULA: C25H19NO2S
MOLECULAR WEIGHT: 397.48886
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 15449-03-3
CAS Name: 2-methyl-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
OPENEYE Name: 2-methyl-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
IUPAC Name: 2-methyl-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
SYSTEMATIC NAME: 2-methyl-3,3-diphenyl-1,2-benzothiazole 1,1-dioxide
MOLECULAR FORMULA: C20H17NO2S
MOLECULAR WEIGHT: 335.41948
SMILES: CN1C(C2=CC=CC=C2S1(=O)=O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 79848-22-9
CAS Name: 2-[imino(phenyl)methyl]-N-methylbenzenesulfonamide
OPENEYE Name: 2-(benzenecarboximidoyl)-N-methyl-benzenesulfonamide
IUPAC Name: 2-(benzenecarboximidoyl)-N-methylbenzenesulfonamide
SYSTEMATIC NAME: N-methyl-2-(C-phenylcarbonimidoyl)benzenesulfonamide
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CNS(=O)(=O)C1=CC=CC=C1C(=N)C2=CC=CC=C2
Structure:
CAS RN: 15448-95-0
CAS Name: 2-(1-hydroxy-1-phenylethyl)-N-methylbenzenesulfonamide
OPENEYE Name: 2-(1-hydroxy-1-phenyl-ethyl)-N-methyl-benzenesulfonamide
IUPAC Name: 2-(1-hydroxy-1-phenylethyl)-N-methylbenzenesulfonamide
SYSTEMATIC NAME: N-methyl-2-(1-oxidanyl-1-phenyl-ethyl)benzenesulfonamide
MOLECULAR FORMULA: C15H17NO3S
MOLECULAR WEIGHT: 291.36538
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2S(=O)(=O)NC)O
Structure:
CAS RN: 52749-50-5
CAS Name: 8-hydroxy-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 8-hydroxy-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 8-hydroxy-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 8-oxidanyl-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1CC(=O)NC2=C1C=CC=C2O
Structure:
CAS RN: 59564-78-2
CAS Name: 1,3-bis(2-furanyl)propane-1,3-dione
OPENEYE Name: 1,3-bis(2-furyl)propane-1,3-dione
IUPAC Name: 1,3-bis(furan-2-yl)propane-1,3-dione
SYSTEMATIC NAME: 1,3-bis(furan-2-yl)propane-1,3-dione
MOLECULAR FORMULA: C11H8O4
MOLECULAR WEIGHT: 204.17882
SMILES: C1=COC(=C1)C(=O)CC(=O)C2=CC=CO2
Structure:
CAS RN: 59565-51-4
CAS Name: 1-(2-furanyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(2-furyl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(furan-2-yl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(furan-2-yl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CO2
Structure:
CAS RN: 90221-44-6
CAS Name: 1,1,1-tribromo-2,2-dimethoxyethane
OPENEYE Name: 1,1,1-tribromo-2,2-dimethoxy-ethane
IUPAC Name: 1,1,1-tribromo-2,2-dimethoxyethane
SYSTEMATIC NAME: 1,1,1-tris(bromanyl)-2,2-dimethoxy-ethane
MOLECULAR FORMULA: C4H7Br3O2
MOLECULAR WEIGHT: 326.80918
SMILES: COC(C(Br)(Br)Br)OC
Structure:
CAS RN: 500341-65-1
CAS Name: 2-methyl-4-oxazolecarbohydrazide
OPENEYE Name: 2-methyloxazole-4-carbohydrazide
IUPAC Name: 2-methyl-1,3-oxazole-4-carbohydrazide
SYSTEMATIC NAME: 2-methyl-1,3-oxazole-4-carbohydrazide
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: CC1=NC(=CO1)C(=O)NN
Structure:
CAS RN: 3259-65-2
CAS Name: 4-nitrobenzoic acid [(4-methoxyphenyl)-phenylmethyl] ester
OPENEYE Name: [(4-methoxyphenyl)-phenyl-methyl] 4-nitrobenzoate
IUPAC Name: [(4-methoxyphenyl)-phenylmethyl] 4-nitrobenzoate
SYSTEMATIC NAME: [(4-methoxyphenyl)-phenyl-methyl] 4-nitrobenzoate
MOLECULAR FORMULA: C21H17NO5
MOLECULAR WEIGHT: 363.36338
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 68269-83-0
CAS Name: 3-amino-N,N-diethylbenzamide
OPENEYE Name: 3-amino-N,N-diethyl-benzamide
IUPAC Name: 3-amino-N,N-diethylbenzamide
SYSTEMATIC NAME: 3-azanyl-N,N-diethyl-benzamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)N
Structure:
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