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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C21H28FN7O2 MolecularWeight: 429.491123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H28FN7O2/c22-17-4-6-18(7-5-17)27-12-14-28(15-13-27)21-19(29(30)31)20(24-16-25-21)23-8-11-26-9-2-1-3-10-26/h4-7,16H,1-3,8-15H2,(H,23,24,25)