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

Systemtic Name: 1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carbonitrile Openeye Name: 1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carbonitrile CAS Name: 1-[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carbonitrile Traditional Name: 1-[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]isonipecotonitrile Formula: C19H19N7 MolecularWeight: 345.40106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7/c1-13-3-2-4-15(9-13)24-18-17-16(22-12-23-18)11-21-19(25-17)26-7-5-14(10-20)6-8-26/h2-4,9,11-12,14H,5-8H2,1H3,(H,22,23,24)