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

Systemtic Name: N6-hexadecyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C27H40F3N5O2 MolecularWeight: 523.63401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40F3N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-31-25-24(35(36)37)26(33-21-32-25)34-23-18-16-17-22(20-23)27(28,29)30/h16-18,20-21H,2-15,19H2,1H3,(H2,31,32,33,34)