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

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C21H19F3N6O3 MolecularWeight: 460.40917

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N6O3/c22-21(23,24)33-17-8-6-15(7-9-17)27-19-18(30(31)32)20(26-14-25-19)29-12-10-28(11-13-29)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,25,26,27)