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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(dodecylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(laurylthio)-3-methyl-xanthine Formula: C25H35ClN4O2S MolecularWeight: 491.089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H35ClN4O2S/c1-3-4-5-6-7-8-9-10-11-14-17-33-25-27-22-21(23(31)28-24(32)29(22)2)30(25)18-19-15-12-13-16-20(19)26/h12-13,15-16H,3-11,14,17-18H2,1-2H3,(H,28,31,32)