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

Systemtic Name: 2-[cyanomethyl-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C14H18N8O2 MolecularWeight: 330.34512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N8O2/c1-2-19-7-9-21(10-8-19)14-12(22(23)24)13(17-11-18-14)20(5-3-15)6-4-16/h11H,2,5-10H2,1H3