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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-methoxyethylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(2-methoxyethylthio)-3,7-dimethyl-xanthine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(N=C1SCCOC)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

InChI

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