2-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CC#N)CC#N)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CC#N)CC#N)N

InChI

InChI=1S/C16H17N7/c1-22(11-13-5-3-2-4-6-13)15-14(19)16(21-12-20-15)23(9-7-17)10-8-18/h2-6,12H,9-11,19H2,1H3