1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(2-hydroxyethylthio)-3,7-dimethyl-xanthine Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

InChI

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