8-ethylsulfonyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-ethylsulfonyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-ethylsulfonyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-ethylsulfonyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-ethylsulfonyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-esyl-7-isopropyl-1,3-dimethyl-xanthine Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4O4S/c1-6-21(19,20)11-13-9-8(16(11)7(2)3)10(17)15(5)12(18)14(9)4/h7H,6H2,1-5H3