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

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbonitrile Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbonitrile CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-piperidinecarbonitrile IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbonitrile Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbonitrile Formula: C19H20N8 MolecularWeight: 360.4157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCN(CC4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCN(CC4)C#N

InChI

InChI=1S/C19H20N8/c1-13-3-2-4-15(9-13)24-18-17-16(22-12-23-18)10-21-19(26-17)25-14-5-7-27(11-20)8-6-14/h2-4,9-10,12,14H,5-8H2,1H3,(H,21,25,26)(H,22,23,24)