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

Systemtic Name: 2-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C13H12N8 MolecularWeight: 280.28798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CC#N)CC#N)N

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CC#N)CC#N)N

InChI

InChI=1S/C13H12N8/c14-3-7-21(8-4-15)13-11(16)12(18-9-19-13)20-10-1-5-17-6-2-10/h1-2,5-6,9H,7-8,16H2,(H,17,18,19,20)