2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C14H17N7O2 MolecularWeight: 315.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O2/c15-5-9-20(10-6-16)14-12(21(22)23)13(17-11-18-14)19-7-3-1-2-4-8-19/h11H,1-4,7-10H2