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

Systemtic Name: 2-[cyanomethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(ethylamino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C10H11N7O2 MolecularWeight: 261.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N7O2/c1-2-13-9-8(17(18)19)10(15-7-14-9)16(5-3-11)6-4-12/h7H,2,5-6H2,1H3,(H,13,14,15)