2-(4-methylpiperazin-1-yl)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2-(4-methylpiperazin-1-yl)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2-(4-methylpiperazin-1-yl)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(4-methyl-1-piperazinyl)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2-(4-methylpiperazin-1-yl)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2-(4-methylpiperazino)-7-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C17H18N6O MolecularWeight: 322.36442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)NC(=NC3=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)NC(=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C17H18N6O/c1-22-7-9-23(10-8-22)17-18-11-13-15(21-17)19-14(20-16(13)24)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,19,20,21,24)