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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethylsulfanyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-phenoxyethylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-phenoxyethylthio)xanthine Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCOC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCOC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-25-19-18(20(28)26(2)22(25)29)27(14-15-8-10-16(23)11-9-15)21(24-19)31-13-12-30-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3