N6-hexadecyl-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C27H40F3N5O3 MolecularWeight: 539.63341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C27H40F3N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-25-24(35(36)37)26(33-21-32-25)34-22-16-18-23(19-17-22)38-27(28,29)30/h16-19,21H,2-15,20H2,1H3,(H2,31,32,33,34)