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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1S(=O)(=O)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(N1S(=O)(=O)C)C(=O)N(C(=O)N2C)C

InChI

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