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

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-(1-phenylprop-2-ynyl)pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-phenylprop-2-ynyl)pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-8-(1-phenylprop-2-ynyl)-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1-phenylprop-2-ynyl)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[4-(4-methylpiperazino)anilino]-8-(1-phenylprop-2-ynyl)pyrido[2,3-d]pyrimidin-7-one Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C(C#C)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C(C#C)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O/c1-3-24(20-7-5-4-6-8-20)33-25(34)14-9-21-19-28-27(30-26(21)33)29-22-10-12-23(13-11-22)32-17-15-31(2)16-18-32/h1,4-14,19,24H,15-18H2,2H3,(H,28,29,30)