methyl 1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylate CAS Name: 1-[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]isonipecotic acid methyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-13-4-3-5-15(10-13)24-18-17-16(22-12-23-18)11-21-20(25-17)26-8-6-14(7-9-26)19(27)28-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,22,23,24)