8-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-ethyl-3-methyl-xanthine Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H15ClN4O2S/c1-3-20-11-12(19(2)14(22)18-13(11)21)17-15(20)23-8-9-4-6-10(16)7-5-9/h4-7H,3,8H2,1-2H3,(H,18,21,22)