CAS RN: 18031-17-9
CAS Name: 9-[3,4,5-tris(phenylmethoxy)-2-oxanyl]-6-purinamine
OPENEYE Name: 9-(3,4,5-tribenzyloxytetrahydropyran-2-yl)purin-6-amine
IUPAC Name: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]purin-6-amine
SYSTEMATIC NAME: 9-[3,4,5-tris(phenylmethoxy)oxan-2-yl]purin-6-amine
MOLECULAR FORMULA: C31H31N5O4
MOLECULAR WEIGHT: 537.60894
SMILES: C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 13981-14-1
CAS Name: (1-tert-butyl-2-phenyl-3-azetidinyl)-phenylmethanone
OPENEYE Name: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
IUPAC Name: (1-tert-butyl-2-phenylazetidin-3-yl)-phenylmethanone
SYSTEMATIC NAME: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 10231-03-5
CAS Name: (1-tert-butyl-2-phenyl-3-azetidinyl)-phenylmethanone
OPENEYE Name: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
IUPAC Name: (1-tert-butyl-2-phenylazetidin-3-yl)-phenylmethanone
SYSTEMATIC NAME: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 10235-75-3
CAS Name: (1-tert-butyl-2-phenyl-3-azetidinyl)-phenylmethanone
OPENEYE Name: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
IUPAC Name: (1-tert-butyl-2-phenylazetidin-3-yl)-phenylmethanone
SYSTEMATIC NAME: (1-tert-butyl-2-phenyl-azetidin-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 4021-07-2
CAS Name: 3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 3-methylpyridine-2-carboxylic acid
IUPAC Name: 3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-methylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=C(N=CC=C1)C(=O)O
Structure:
CAS RN: 21170-27-4
CAS Name: 10,13-dimethyl-17-[2-[6-(methylthio)-9-purinyl]-1-oxoethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)ethanoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H34N4O2S
MOLECULAR WEIGHT: 478.64946
SMILES: CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C
Structure:
CAS RN: 19459-60-0
CAS Name: acetic acid [17-acetyl-16-(1-aziridinyl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [16-(aziridin-1-yl)-17-ethanoyl-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H37NO4
MOLECULAR WEIGHT: 415.56558
SMILES: CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5
Structure:
CAS RN: 15069-92-8
CAS Name: 5-hydroxy-2-pyridinecarboxylic acid
OPENEYE Name: 5-hydroxypyridine-2-carboxylic acid
IUPAC Name: 5-hydroxypyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-oxidanylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=CC(=NC=C1O)C(=O)O
Structure:
CAS RN: 49747-88-8
CAS Name: 3-bromo-2-hydroxy-5-phenylbenzoic acid
OPENEYE Name: 3-bromo-2-hydroxy-5-phenyl-benzoic acid
IUPAC Name: 3-bromo-2-hydroxy-5-phenylbenzoic acid
SYSTEMATIC NAME: 3-bromanyl-2-oxidanyl-5-phenyl-benzoic acid
MOLECULAR FORMULA: C13H9BrO3
MOLECULAR WEIGHT: 293.11276
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O
Structure:
CAS RN: 55427-33-3
CAS Name: 1,3-bis(phenylmethyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-dibenzylhexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-dibenzyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(phenylmethyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: C1C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 341-27-5
CAS Name: 3-fluoro-2-hydroxybenzoic acid
OPENEYE Name: 3-fluoro-2-hydroxy-benzoic acid
IUPAC Name: 3-fluoro-2-hydroxybenzoic acid
SYSTEMATIC NAME: 3-fluoranyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5FO3
MOLECULAR WEIGHT: 156.111203
SMILES: C1=CC(=C(C(=C1)F)O)C(=O)O
Structure:
CAS RN: 422-85-5
CAS Name: 1-(chloromethyl)-5,6-dinitroindazole
OPENEYE Name: 1-(chloromethyl)-5,6-dinitro-indazole
IUPAC Name: 1-(chloromethyl)-5,6-dinitroindazole
SYSTEMATIC NAME: 1-(chloromethyl)-5,6-dinitro-indazole
MOLECULAR FORMULA: C8H5ClN4O4
MOLECULAR WEIGHT: 256.6027
SMILES: C1=C2C=NN(C2=CC(=C1[N+](=O)[O-])[N+](=O)[O-])CCl
Structure:
CAS RN: 88382-46-1
CAS Name: 3-[[oxo-(prop-2-enylamino)methyl]thio]propanoic acid
OPENEYE Name: 3-(allylcarbamoylsulfanyl)propanoic acid
IUPAC Name: 3-(prop-2-enylcarbamoylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-(prop-2-enylcarbamoylsulfanyl)propanoic acid
MOLECULAR FORMULA: C7H11NO3S
MOLECULAR WEIGHT: 189.23214
SMILES: C=CCNC(=O)SCCC(=O)O
Structure:
CAS RN: 1315-07-7
CAS Name: 2-[cyclohexyl(phenyl)methylidene]propanedinitrile
OPENEYE Name: 2-[cyclohexyl(phenyl)methylene]propanedinitrile
IUPAC Name: 2-[cyclohexyl(phenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[cyclohexyl(phenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: C1CCC(CC1)C(=C(C#N)C#N)C2=CC=CC=C2
Structure:
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