7-ethyl-1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-(3-hydroxypropylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-(3-hydroxypropylthio)-1,3-dimethyl-xanthine Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCCCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O3S/c1-4-16-8-9(13-11(16)20-7-5-6-17)14(2)12(19)15(3)10(8)18/h17H,4-7H2,1-3H3