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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C15H15ClN4O3S MolecularWeight: 366.8226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O3S/c1-19-12-11(13(22)18-14(19)23)20(15(17-12)24-7-6-21)8-9-2-4-10(16)5-3-9/h2-5,21H,6-8H2,1H3,(H,18,22,23)