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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C16H18F3N5O2 MolecularWeight: 369.34163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3N5O2/c1-10(2)7-8-20-14-13(24(25)26)15(22-9-21-14)23-12-5-3-11(4-6-12)16(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22,23)