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

Systemtic Name: 8-hex-3-yn-2-yl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-methylpent-2-ynyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-hex-3-yn-2-yl-2-[4-(4-methyl-1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-hex-3-yn-2-yl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-methylpent-2-ynyl)-2-[4-(4-methylpiperazino)anilino]pyrido[2,3-d]pyrimidin-7-one Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O/c1-4-5-6-18(2)30-22(31)12-7-19-17-25-24(27-23(19)30)26-20-8-10-21(11-9-20)29-15-13-28(3)14-16-29/h7-12,17-18H,4,13-16H2,1-3H3,(H,25,26,27)