2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-(3,3,5-trimethylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-(3,3,5-trimethylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-(3,3,5-trimethylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-8-(3,3,5-trimethylcyclohexyl)-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-(3,3,5-trimethylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[4-(4-methylpiperazino)anilino]-8-(3,3,5-trimethylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N2C(=O)C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)N2C(=O)C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C27H36N6O/c1-19-15-23(17-27(2,3)16-19)33-24(34)10-5-20-18-28-26(30-25(20)33)29-21-6-8-22(9-7-21)32-13-11-31(4)12-14-32/h5-10,18-19,23H,11-17H2,1-4H3,(H,28,29,30)