7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-hydroxyethylthio)-1,3-dimethyl-xanthine Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=CC=C3Cl

InChI

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