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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-methoxyethylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-methoxyethylthio)-1,3-dimethyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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