3-[2-cyanoethyl-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C16H22N8O2 MolecularWeight: 358.39828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N8O2/c1-2-21-9-11-23(12-10-21)16-14(24(25)26)15(19-13-20-16)22(7-3-5-17)8-4-6-18/h13H,2-4,7-12H2,1H3