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

Systemtic Name: 1,3,7-trimethyl-8-(phenylmethyl)sulfonyl-purine-2,6-dione Openeye Name: 8-benzylsulfonyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(phenylmethyl)sulfonylpurine-2,6-dione IUPAC Name: 8-benzylsulfonyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-benzylsulfonyl-1,3,7-trimethyl-xanthine Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1S(=O)(=O)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1S(=O)(=O)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H16N4O4S/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)24(22,23)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3