5-nitro-6-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C21H19F3N6O2 MolecularWeight: 444.40977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N6O2/c22-21(23,24)15-5-4-6-16(13-15)27-19-18(30(31)32)20(26-14-25-19)29-11-9-28(10-12-29)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,25,26,27)