7-(2-ethylsulfonylethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-ethylsulfonylethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-ethylsulfonylethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-ethylsulfonylethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-ethylsulfonylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-esylethyl)-1,3-dimethyl-xanthine Formula: C11H16N4O4S MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCS(=O)(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H16N4O4S/c1-4-20(18,19)6-5-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3