6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[[3-(trifluoromethyloxy)phenyl]methyl]pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[[3-(trifluoromethyloxy)phenyl]methyl]pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-[3-(trifluoromethoxy)benzyl]amine Formula: C24H23F3N6O5 MolecularWeight: 532.47183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC(=CC=C5)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC(=CC=C5)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H23F3N6O5/c25-24(26,27)38-18-3-1-2-16(10-18)12-28-22-21(33(34)35)23(30-14-29-22)32-8-6-31(7-9-32)13-17-4-5-19-20(11-17)37-15-36-19/h1-5,10-11,14H,6-9,12-13,15H2,(H,28,29,30)