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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCOC

InChI

InChI=1S/C16H17ClN4O3S/c1-20-13-12(14(22)19-15(20)23)21(7-8-24-2)16(18-13)25-9-10-3-5-11(17)6-4-10/h3-6H,7-9H2,1-2H3,(H,19,22,23)