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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)N

InChI

InChI=1S/C16H17N7/c1-2-12-3-5-13(6-4-12)22-15-14(19)16(21-11-20-15)23(9-7-17)10-8-18/h3-6,11H,2,9-10,19H2,1H3,(H,20,21,22)