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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C22H21F3N6O4 MolecularWeight: 490.43515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H21F3N6O4/c1-34-17-8-4-16(5-9-17)29-10-12-30(13-11-29)21-19(31(32)33)20(26-14-27-21)28-15-2-6-18(7-3-15)35-22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,27,28)