7-(2-methoxyethyl)-3-methyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylsulfanyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CCOC

InChI

InChI=1S/C12H18N4O4S/c1-15-9-8(10(18)14-11(15)19)16(4-6-20-2)12(13-9)21-7-3-5-17/h17H,3-7H2,1-2H3,(H,14,18,19)