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

Systemtic Name: 2-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C14H14N8 MolecularWeight: 294.31456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)N

InChI

InChI=1S/C14H14N8/c15-3-6-22(7-4-16)14-12(17)13(20-10-21-14)19-9-11-2-1-5-18-8-11/h1-2,5,8,10H,6-7,9,17H2,(H,19,20,21)