1,3,7-trimethyl-8-(phenylsulfinyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(phenylsulfinyl)purine-2,6-dione Openeye Name: 8-(benzenesulfinyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(benzenesulfinyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(benzenesulfinyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(benzenesulfinyl)-1,3,7-trimethyl-xanthine Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1S(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1S(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O3S/c1-16-10-11(17(2)14(20)18(3)12(10)19)15-13(16)22(21)9-7-5-4-6-8-9/h4-8H,1-3H3