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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCS(=O)(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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