5-nitro-N4-(1-phenylethyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C19H16F3N5O2 MolecularWeight: 403.35785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O2/c1-12(13-5-3-2-4-6-13)25-17-16(27(28)29)18(24-11-23-17)26-15-9-7-14(8-10-15)19(20,21)22/h2-12H,1H3,(H2,23,24,25,26)