6-chloranyl-9-methyl-8-(4-methylsulfonylphenyl)purine

Systemtic Name: 6-chloranyl-9-methyl-8-(4-methylsulfonylphenyl)purine Openeye Name: 6-chloro-9-methyl-8-(4-methylsulfonylphenyl)purine CAS Name: 6-chloro-9-methyl-8-(4-methylsulfonylphenyl)purine IUPAC Name: 6-chloro-9-methyl-8-(4-methylsulfonylphenyl)purine Traditional Name: 6-chloro-8-(4-mesylphenyl)-9-methyl-purine Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)Cl)N=C1C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=NC=N2)Cl)N=C1C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C13H11ClN4O2S/c1-18-12(17-10-11(14)15-7-16-13(10)18)8-3-5-9(6-4-8)21(2,19)20/h3-7H,1-2H3