8-(4-chlorophenyl)-5-(2-methylsulfonylethyl)-7H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 8-(4-chlorophenyl)-5-(2-methylsulfonylethyl)-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 8-(4-chlorophenyl)-5-(2-methylsulfonylethyl)-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 8-(4-chlorophenyl)-5-(2-methylsulfonylethyl)-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 8-(4-chlorophenyl)-5-(2-methylsulfonylethyl)-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 8-(4-chlorophenyl)-5-(2-mesylethyl)-7H-[1,2,4]triazolo[5,1-f]purine Formula: C15H13ClN6O2S MolecularWeight: 376.82072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)CCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C15H13ClN6O2S/c1-25(23,24)7-6-11-19-14-12(17-8-18-14)15-20-13(21-22(11)15)9-2-4-10(16)5-3-9/h2-5,8H,6-7H2,1H3,(H,20,21)