N,N-diethyl-1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]nipecotamide Formula: C23H29N7O MolecularWeight: 419.52266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C

InChI

InChI=1S/C23H29N7O/c1-4-29(5-2)22(31)17-9-7-11-30(14-17)23-24-13-19-20(28-23)21(26-15-25-19)27-18-10-6-8-16(3)12-18/h6,8,10,12-13,15,17H,4-5,7,9,11,14H2,1-3H3,(H,25,26,27)