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

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-N-(2-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C21H21FN6O3 MolecularWeight: 424.428243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN6O3/c1-31-18-5-3-2-4-17(18)25-20-19(28(29)30)21(24-14-23-20)27-12-10-26(11-13-27)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,24,25)