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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-decylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(decylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-decylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(decylthio)-3-methyl-xanthine Formula: C23H31ClN4O2S MolecularWeight: 463.03584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H31ClN4O2S/c1-3-4-5-6-7-8-9-10-15-31-23-25-20-19(21(29)26-22(30)27(20)2)28(23)16-17-11-13-18(24)14-12-17/h11-14H,3-10,15-16H2,1-2H3,(H,26,29,30)