4-chloranyl-1-methyl-7-methylsulfanyl-2H-[1,2,4]triazolo[5,1-b]purine

Systemtic Name: 4-chloranyl-1-methyl-7-methylsulfanyl-2H-[1,2,4]triazolo[5,1-b]purine Openeye Name: 4-chloro-1-methyl-7-methylsulfanyl-2H-[1,2,4]triazolo[5,1-b]purine CAS Name: 4-chloro-1-methyl-7-(methylthio)-2H-[1,2,4]triazolo[5,1-b]purine IUPAC Name: 4-chloro-1-methyl-7-methylsulfanyl-2H-[1,2,4]triazolo[5,1-b]purine Traditional Name: 4-chloro-1-methyl-7-(methylthio)-2H-[1,2,4]triazolo[5,1-b]purine Formula: C8H9ClN6S MolecularWeight: 256.71526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN=C2N1C3=NC(=NC3=CN2Cl)SC

Isomeric SMILES

CN1CN=C2N1C3=NC(=NC3=CN2Cl)SC

InChI

InChI=1S/C8H9ClN6S/c1-13-4-10-8-14(9)3-5-6(15(8)13)12-7(11-5)16-2/h3H,4H2,1-2H3