N-(3-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(m-tolyl)-6-(4-phenylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-methylphenyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: m-tolyl-[6-(4-phenylpiperazino)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C23H23N7 MolecularWeight: 397.47562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N7/c1-17-6-5-7-18(14-17)27-22-21-20(25-16-26-22)15-24-23(28-21)30-12-10-29(11-13-30)19-8-3-2-4-9-19/h2-9,14-16H,10-13H2,1H3,(H,25,26,27)