[4-[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(4-cyclohexyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(4-cyclohexylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(4-cyclohexylpiperazino)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C23H31N7O4 MolecularWeight: 469.53674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C23H31N7O4/c31-23(19-7-4-16-34-19)29-14-12-28(13-15-29)22-20(30(32)33)21(24-17-25-22)27-10-8-26(9-11-27)18-5-2-1-3-6-18/h4,7,16-18H,1-3,5-6,8-15H2