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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethoxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethoxyethylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethoxyethylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(2-ethoxyethylthio)-1,3-dimethyl-xanthine Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H21ClN4O3S/c1-4-26-9-10-27-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)11-12-5-7-13(19)8-6-12/h5-8H,4,9-11H2,1-3H3