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

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-phenethyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenethyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-8-phenethyl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenethylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[4-(4-methylpiperazino)anilino]-8-phenethyl-pyrido[2,3-d]pyrimidin-7-one Formula: C26H28N6O MolecularWeight: 440.54012

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)CCC5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-30-15-17-31(18-16-30)23-10-8-22(9-11-23)28-26-27-19-21-7-12-24(33)32(25(21)29-26)14-13-20-5-3-2-4-6-20/h2-12,19H,13-18H2,1H3,(H,27,28,29)