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

Systemtic Name: 3-[2-cyanoethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(ethylamino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C12H15N7O2 MolecularWeight: 289.2932

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N7O2/c1-2-15-11-10(19(20)21)12(17-9-16-11)18(7-3-5-13)8-4-6-14/h9H,2-4,7-8H2,1H3,(H,15,16,17)