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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C27H39ClF3N5O2 MolecularWeight: 558.07907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClF3N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-25-24(36(37)38)26(34-20-33-25)35-21-16-17-23(28)22(19-21)27(29,30)31/h16-17,19-20H,2-15,18H2,1H3,(H2,32,33,34,35)