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

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[4-[4-(trifluoromethyl)benzyl]piperazino]pyrimidin-4-yl]amine Formula: C19H21F3N6O2 MolecularWeight: 422.40425

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H21F3N6O2/c20-19(21,22)14-3-1-13(2-4-14)12-26-7-9-27(10-8-26)18-23-11-16(28(29)30)17(25-18)24-15-5-6-15/h1-4,11,15H,5-10,12H2,(H,23,24,25)