1,3,9-trimethyl-8-(phenylsulfonyl)purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(phenylsulfonyl)purine-2,6-dione Openeye Name: 8-(benzenesulfonyl)-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(benzenesulfonyl)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-(benzenesulfonyl)-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-besyl-1,3,9-trimethyl-xanthine Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H14N4O4S/c1-16-11-10(12(19)18(3)14(20)17(11)2)15-13(16)23(21,22)9-7-5-4-6-8-9/h4-8H,1-3H3