7-ethyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-8-(isobutylthio)-3-methyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O2S/c1-5-16-8-9(13-12(16)19-6-7(2)3)15(4)11(18)14-10(8)17/h7H,5-6H2,1-4H3,(H,14,17,18)