5-nitro-N6-(4-propan-2-ylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-propan-2-ylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-[3-(trifluoromethyl)phenyl]amine Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N5O2/c1-12(2)13-6-8-15(9-7-13)26-18-17(28(29)30)19(25-11-24-18)27-16-5-3-4-14(10-16)20(21,22)23/h3-12H,1-2H3,(H2,24,25,26,27)