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

Systemtic Name: 2-[cyanomethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(methylamino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C9H9N7O2 MolecularWeight: 247.21346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N7O2/c1-12-8-7(16(17)18)9(14-6-13-8)15(4-2-10)5-3-11/h6H,4-5H2,1H3,(H,12,13,14)