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

Systemtic Name: 3-[cyclohexyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[cyclohexyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[cyclohexyl-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[cyclohexyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[cyclohexyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N7O2/c1-22-10-12-23(13-11-22)17-16(25(26)27)18(21-14-20-17)24(9-5-8-19)15-6-3-2-4-7-15/h14-15H,2-7,9-13H2,1H3