N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H27FN6O2 MolecularWeight: 426.487183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN6O2/c23-18-6-8-19(9-7-18)27-12-14-28(15-13-27)22-20(29(30)31)21(25-16-26-22)24-11-10-17-4-2-1-3-5-17/h4,6-9,16H,1-3,5,10-15H2,(H,24,25,26)