3-[cyclohexyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[cyclohexyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[cyclohexyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[cyclohexyl-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[cyclohexyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[cyclohexyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propionitrile Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC#N)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N(CCC#N)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H28N8O2/c23-10-6-12-29(18-7-2-1-3-8-18)22-20(30(31)32)21(25-17-26-22)28-15-13-27(14-16-28)19-9-4-5-11-24-19/h4-5,9,11,17-18H,1-3,6-8,12-16H2