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

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19ClN4O3S/c1-3-25-9-8-22-13-14(21(2)16(24)20-15(13)23)19-17(22)26-10-11-6-4-5-7-12(11)18/h4-7H,3,8-10H2,1-2H3,(H,20,23,24)