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

Systemtic Name: N4-butyl-N4-methyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: butyl-methyl-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N5O2/c1-3-4-9-23(2)15-13(24(25)26)14(20-10-21-15)22-12-7-5-11(6-8-12)16(17,18)19/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,22)