N-cyclopropyl-5-nitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidin-4-yl]amine Formula: C18H19F3N6O2 MolecularWeight: 408.37767

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H19F3N6O2/c19-18(20,21)12-2-1-3-14(10-12)25-6-8-26(9-7-25)17-22-11-15(27(28)29)16(24-17)23-13-4-5-13/h1-3,10-11,13H,4-9H2,(H,22,23,24)