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

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-oct-1-yn-3-yl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-ethynylhexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-8-oct-1-yn-3-yl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-oct-1-yn-3-ylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-amylprop-2-ynyl)-2-[4-(4-methylpiperazino)anilino]pyrido[2,3-d]pyrimidin-7-one Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O/c1-4-6-7-8-22(5-2)32-24(33)14-9-20-19-27-26(29-25(20)32)28-21-10-12-23(13-11-21)31-17-15-30(3)16-18-31/h2,9-14,19,22H,4,6-8,15-18H2,1,3H3,(H,27,28,29)