N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H38ClF3N6O2 MolecularWeight: 559.06713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C26H38ClF3N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31-24-22(36(37)38)25(34-19-33-24)35-23-21(27)17-20(18-32-23)26(28,29)30/h17-19H,2-16H2,1H3,(H2,31,32,33,34,35)