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

Systemtic Name: 1-methyl-7-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-methyl-7-[4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-methyl-7-[4-(4-methyl-1-piperazinyl)anilino]-2-pyrimido[4,5-d]pyrimidinone IUPAC Name: 1-methyl-7-[4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-methyl-7-[4-(4-methylpiperazino)anilino]pyrimido[4,5-d]pyrimidin-2-one Formula: C18H21N7O MolecularWeight: 351.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O/c1-23-7-9-25(10-8-23)15-5-3-14(4-6-15)21-17-19-11-13-12-20-18(26)24(2)16(13)22-17/h3-6,11-12H,7-10H2,1-2H3,(H,19,21,22)