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

Systemtic Name: 3-[2-cyanoethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C15H20N8O2 MolecularWeight: 344.3717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N8O2/c1-20-8-10-22(11-9-20)15-13(23(24)25)14(18-12-19-15)21(6-2-4-16)7-3-5-17/h12H,2-3,6-11H2,1H3