(2E,8R,9S,13S,14S,17S)-2-[1,2-bis(azanyl)-6-phenyl-pyrimidin-4-ylidene]-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (2E,8R,9S,13S,14S,17S)-2-[1,2-bis(azanyl)-6-phenyl-pyrimidin-4-ylidene]-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (2E,8R,9S,13S,14S,17S)-2-(1,2-diamino-6-phenyl-pyrimidin-4-ylidene)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (2E,8R,9S,13S,14S,17S)-2-(1,2-diamino-6-phenyl-4-pyrimidinylidene)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (2E,8R,9S,13S,14S,17S)-2-(1,2-diamino-6-phenylpyrimidin-4-ylidene)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (2E,8R,9S,13S,14S,17S)-2-(1,2-diamino-6-phenyl-pyrimidin-4-ylidene)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CCC4=CC(=O)C(=C5C=C(N(C(=N5)N)N)C6=CC=CC=C6)C=C34

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)/C(=C/5\C=C(N(C(=N5)N)N)C6=CC=CC=C6)/C=C34

InChI

InChI=1S/C28H32N4O2/c1-28-12-11-18-19(22(28)9-10-26(28)34)8-7-17-13-25(33)21(14-20(17)18)23-15-24(32(30)27(29)31-23)16-5-3-2-4-6-16/h2-6,13-15,18-19,22,26,34H,7-12,30H2,1H3,(H2,29,31)/b23-21+/t18-,19+,22-,26-,28-/m0/s1