2-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C16H17N7 MolecularWeight: 307.35308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)N)C

InChI

InChI=1S/C16H17N7/c1-11-7-12(2)9-13(8-11)22-15-14(19)16(21-10-20-15)23(5-3-17)6-4-18/h7-10H,5-6,19H2,1-2H3,(H,20,21,22)