3-[2-cyanoethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C11H13N7O2 MolecularWeight: 275.26662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N7O2/c1-14-10-9(18(19)20)11(16-8-15-10)17(6-2-4-12)7-3-5-13/h8H,2-3,6-7H2,1H3,(H,14,15,16)