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

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-pent-4-yn-2-yl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-methylbut-3-ynyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-8-pent-4-yn-2-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-pent-4-yn-2-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-methylbut-3-ynyl)-2-[4-(4-methylpiperazino)anilino]pyrido[2,3-d]pyrimidin-7-one Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC(CC#C)N1C(=O)C=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H26N6O/c1-4-5-17(2)29-21(30)11-6-18-16-24-23(26-22(18)29)25-19-7-9-20(10-8-19)28-14-12-27(3)13-15-28/h1,6-11,16-17H,5,12-15H2,2-3H3,(H,24,25,26)