2-[cyanomethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C13H16N8O2 MolecularWeight: 316.31854

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O2/c1-18-6-8-20(9-7-18)13-11(21(22)23)12(16-10-17-13)19(4-2-14)5-3-15/h10H,4-9H2,1H3