(5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (5R,8S,10R,13S,14S,16R,17S)-17-[2-[2-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]acetyl]-10,13,16-trimethyl-4,5,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Formula: C38H54N6O2 MolecularWeight: 626.87436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCNCC5C6=CC(=NC(=N6)N7CCCC7)N8CCCC8)C)C

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCNCC5C6=CC(=NC(=N6)N7CCCC7)N8CCCC8)C)C

InChI

InChI=1S/C38H54N6O2/c1-25-20-30-28-9-8-26-21-27(45)10-12-37(26,2)29(28)11-13-38(30,3)35(25)33(46)24-44-19-14-39-23-32(44)31-22-34(42-15-4-5-16-42)41-36(40-31)43-17-6-7-18-43/h10-12,22,25-26,28,30,32,35,39H,4-9,13-21,23-24H2,1-3H3/t25-,26-,28-,30+,32?,35-,37+,38+/m1/s1