2-[2,6-bis(fluoranyl)phenoxy]-8-(2-chlorophenyl)sulfanyl-9-ethyl-purine

Systemtic Name: 2-[2,6-bis(fluoranyl)phenoxy]-8-(2-chlorophenyl)sulfanyl-9-ethyl-purine Openeye Name: 8-(2-chlorophenyl)sulfanyl-2-(2,6-difluorophenoxy)-9-ethyl-purine CAS Name: 8-[(2-chlorophenyl)thio]-2-(2,6-difluorophenoxy)-9-ethylpurine IUPAC Name: 8-(2-chlorophenyl)sulfanyl-2-(2,6-difluorophenoxy)-9-ethylpurine Traditional Name: 8-[(2-chlorophenyl)thio]-2-(2,6-difluorophenoxy)-9-ethyl-purine Formula: C19H13ClF2N4OS MolecularWeight: 418.847526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=NC=C2N=C1SC3=CC=CC=C3Cl)OC4=C(C=CC=C4F)F

Isomeric SMILES

CCN1C2=NC(=NC=C2N=C1SC3=CC=CC=C3Cl)OC4=C(C=CC=C4F)F

InChI

InChI=1S/C19H13ClF2N4OS/c1-2-26-17-14(24-19(26)28-15-9-4-3-6-11(15)20)10-23-18(25-17)27-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3