6-[2,5-bis(fluoranyl)phenyl]-5-chloranyl-N-dodecyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 6-[2,5-bis(fluoranyl)phenyl]-5-chloranyl-N-dodecyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-chloro-6-(2,5-difluorophenyl)-N-dodecyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-chloro-6-(2,5-difluorophenyl)-N-dodecyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine IUPAC Name: 5-chloro-6-(2,5-difluorophenyl)-N-dodecyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine Traditional Name: [5-chloro-6-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-lauryl-amine Formula: C23H30ClF2N5 MolecularWeight: 449.967606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCCCCCCCCCCCNC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C23H30ClF2N5/c1-2-3-4-5-6-7-8-9-10-11-14-27-22-20(18-15-17(25)12-13-19(18)26)21(24)30-23-28-16-29-31(22)23/h12-13,15-16,27H,2-11,14H2,1H3