1,3-dimethyl-8-(phenylsulfonyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenylsulfonyl)-7H-purine-2,6-dione Openeye Name: 8-(benzenesulfonyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(benzenesulfonyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(benzenesulfonyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-besyl-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O4S/c1-16-10-9(11(18)17(2)13(16)19)14-12(15-10)22(20,21)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)