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

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]butanenitrile Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butanenitrile CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]butanenitrile IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butanenitrile Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butyronitrile Formula: C17H17N7 MolecularWeight: 319.36378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7/c1-12-5-4-6-13(9-12)23-16-15-14(21-11-22-16)10-20-17(24-15)19-8-3-2-7-18/h4-6,9-11H,2-3,8H2,1H3,(H,19,20,24)(H,21,22,23)