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

Systemtic Name: 2-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C13H17N7O MolecularWeight: 287.32038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)N

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)N

InChI

InChI=1S/C13H17N7O/c14-3-5-20(6-4-15)13-11(16)12(18-9-19-13)17-8-10-2-1-7-21-10/h9-10H,1-2,5-8,16H2,(H,17,18,19)