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

Systemtic Name: N,N-dimethyl-1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide Openeye Name: N,N-dimethyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide CAS Name: N,N-dimethyl-1-[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: N,N-dimethyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide Traditional Name: N,N-dimethyl-1-[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]isonipecotamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)C(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)C(=O)N(C)C

InChI

InChI=1S/C21H25N7O/c1-14-5-4-6-16(11-14)25-19-18-17(23-13-24-19)12-22-21(26-18)28-9-7-15(8-10-28)20(29)27(2)3/h4-6,11-13,15H,7-10H2,1-3H3,(H,23,24,25)