6,10,13-trimethyl-11,17-bis(oxidanyl)-1-piperazin-1-yl-2-prop-1-ynyl-4-pyrimidin-4-yl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 6,10,13-trimethyl-11,17-bis(oxidanyl)-1-piperazin-1-yl-2-prop-1-ynyl-4-pyrimidin-4-yl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11,17-dihydroxy-6,10,13-trimethyl-1-piperazin-1-yl-2-prop-1-ynyl-4-pyrimidin-4-yl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one CAS Name: 11,17-dihydroxy-6,10,13-trimethyl-1-(1-piperazinyl)-2-prop-1-ynyl-4-(4-pyrimidinyl)-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11,17-dihydroxy-6,10,13-trimethyl-1-piperazin-1-yl-2-prop-1-ynyl-4-pyrimidin-4-yl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11,17-dihydroxy-6,10,13-trimethyl-1-piperazino-2-prop-1-ynyl-4-(4-pyrimidyl)-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C2(C3C(CC4(C(C3C=C(C2=C(C1=O)C5=NC=NC=C5)C)CCC4O)C)O)C)N6CCNCC6

Isomeric SMILES

CC#CC1=C(C2(C3C(CC4(C(C3C=C(C2=C(C1=O)C5=NC=NC=C5)C)CCC4O)C)O)C)N6CCNCC6

InChI

InChI=1S/C31H38N4O3/c1-5-6-19-28(38)25(22-9-10-33-17-34-22)26-18(2)15-20-21-7-8-24(37)30(21,3)16-23(36)27(20)31(26,4)29(19)35-13-11-32-12-14-35/h9-10,15,17,20-21,23-24,27,32,36-37H,7-8,11-14,16H2,1-4H3