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

Systemtic Name: 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(6-amino-5-nitropyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile Formula: C8H7N7O2 MolecularWeight: 233.18688

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(C(=N1)N(CC#N)CC#N)[N+](=O)[O-])N

Isomeric SMILES

C1=NC(=C(C(=N1)N(CC#N)CC#N)[N+](=O)[O-])N

InChI

InChI=1S/C8H7N7O2/c9-1-3-14(4-2-10)8-6(15(16)17)7(11)12-5-13-8/h5H,3-4H2,(H2,11,12,13)