1,3,7-trimethyl-8-methylsulfonyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-methylsulfonyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-methylsulfonyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-methylsulfonylpurine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-methylsulfonylpurine-2,6-dione Traditional Name: 8-mesyl-1,3,7-trimethyl-xanthine Formula: C9H12N4O4S MolecularWeight: 272.28098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O4S/c1-11-5-6(10-8(11)18(4,16)17)12(2)9(15)13(3)7(5)14/h1-4H3