CAS RN: 126291-42-7
CAS Name: (8R,9S,13S,14S)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: (8R,9S,13S,14S)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: (8R,9S,13S,14S)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8R,9S,13S,14S)-4-bromanyl-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H22BrNO4
MOLECULAR WEIGHT: 408.28628
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)[N+](=O)[O-])OC)Br
Structure:
CAS RN: 126291-41-6
CAS Name: (8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: (8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: (8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C20H25NO5
MOLECULAR WEIGHT: 359.4162
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C(=CC(=C4OC)OC)[N+](=O)[O-]
Structure:
CAS RN: 126266-01-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)N)O
Structure:
CAS RN: 151258-40-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14O2
MOLECULAR WEIGHT: 286.32396
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C5C3=CC(C(C5=CC=C4)O)O
Structure:
CAS RN: 143200-52-6
CAS Name: 2-[2-[1-hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]-2-oxiranyl]-2-oxoacetaldehyde
OPENEYE Name: 2-[2-[1-hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]oxiran-2-yl]-2-oxo-acetaldehyde
IUPAC Name: 2-[2-[1-hydroxy-2-[3-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]oxiran-2-yl]-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-[2-[2-[5-(hydroxymethyl)-1,2,4a-trimethyl-3-oxidanyl-4-oxidanylidene-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-oxidanyl-ethyl]oxiran-2-yl]-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: CC1C(C(=O)C2(C(C1(C)CC(C3(CO3)C(=O)C=O)O)CCC=C2CO)C)O
Structure:
CAS RN: 143134-32-1
CAS Name: 5-nitro-N-(2-oxiranylmethyl)-2-furancarboxamide
OPENEYE Name: 5-nitro-N-(oxiran-2-ylmethyl)furan-2-carboxamide
IUPAC Name: 5-nitro-N-(oxiran-2-ylmethyl)furan-2-carboxamide
SYSTEMATIC NAME: 5-nitro-N-(oxiran-2-ylmethyl)furan-2-carboxamide
MOLECULAR FORMULA: C8H8N2O5
MOLECULAR WEIGHT: 212.15952
SMILES: C1C(O1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 143101-66-0
CAS Name: 2-amino-7-hydroxy-8-methyl-3H-purin-6-one
OPENEYE Name: 2-amino-7-hydroxy-8-methyl-3H-purin-6-one
IUPAC Name: 2-amino-7-hydroxy-8-methyl-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-8-methyl-7-oxidanyl-3H-purin-6-one
MOLECULAR FORMULA: C6H7N5O2
MOLECULAR WEIGHT: 181.15208
SMILES: CC1=NC2=C(N1O)C(=O)N=C(N2)N
Structure:
CAS RN: 142744-39-6
CAS Name: 6-bromo-8-(methylamino)-2-imidazo[1,2-a]pyrazinecarbonitrile
OPENEYE Name: 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carbonitrile
IUPAC Name: 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-2-carbonitrile
SYSTEMATIC NAME: 6-bromanyl-8-(methylamino)imidazo[1,2-a]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C8H6BrN5
MOLECULAR WEIGHT: 252.07074
SMILES: CNC1=NC(=CN2C1=NC(=C2)C#N)Br
Structure:
CAS RN: 142694-58-4
CAS Name: 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-6-carboxaldehyde
OPENEYE Name: 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-6-carbaldehyde
IUPAC Name: 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
SYSTEMATIC NAME: 1,6-dimethyl-10,11-bis(oxidanylidene)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
MOLECULAR FORMULA: C19H18O4
MOLECULAR WEIGHT: 310.34382
SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O
Structure:
CAS RN: 133882-98-1
CAS Name: 2-amino-4-hydroxy-3-methyl-4H-imidazol-5-one
OPENEYE Name: 2-amino-4-hydroxy-3-methyl-4H-imidazol-5-one
IUPAC Name: 2-amino-4-hydroxy-3-methyl-4H-imidazol-5-one
SYSTEMATIC NAME: 2-azanyl-3-methyl-4-oxidanyl-4H-imidazol-5-one
MOLECULAR FORMULA: C4H7N3O2
MOLECULAR WEIGHT: 129.11728
SMILES: CN1C(C(=O)N=C1N)O
Structure:
CAS RN: 133645-02-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)[C@H]5[C@H](O5)[C@@H]([C@H]3O)O
Structure:
CAS RN: 133621-76-8
CAS Name: (3S,5R,9R,10R,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
OPENEYE Name: (3S,5R,9R,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
IUPAC Name: (3S,5R,9R,10R,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
SYSTEMATIC NAME: (3S,5R,9R,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C(=O)O
Structure:
CAS RN: 133398-57-9
CAS Name: (2S,3R)-3-[(1R)-1-hydroxyhexyl]-2-oxiranecarboxaldehyde
OPENEYE Name: (2S,3R)-3-[(1R)-1-hydroxyhexyl]oxirane-2-carbaldehyde
IUPAC Name: (2S,3R)-3-[(1R)-1-hydroxyhexyl]oxirane-2-carbaldehyde
SYSTEMATIC NAME: (2S,3R)-3-[(1R)-1-oxidanylhexyl]oxirane-2-carbaldehyde
MOLECULAR FORMULA: C9H16O3
MOLECULAR WEIGHT: 172.22154
SMILES: CCCCC[C@H]([C@@H]1[C@H](O1)C=O)O
Structure:
CAS RN: 133360-47-1
CAS Name: (2S,3S,4S,5R,6S)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[[(2R)-2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-7-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H20O12
MOLECULAR WEIGHT: 464.3763
SMILES: C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
Structure:
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