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

Systemtic Name: 8-(3-chloranylbut-2-enylsulfanyl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3-chlorobut-2-enylsulfanyl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3-chlorobut-2-enylthio)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3-chlorobut-2-enylsulfanyl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(3-chlorobut-2-enylthio)-7-ethyl-3-methyl-xanthine Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O2S/c1-4-17-8-9(16(3)11(19)15-10(8)18)14-12(17)20-6-5-7(2)13/h5H,4,6H2,1-3H3,(H,15,18,19)