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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-lauryl-3-methyl-xanthine Formula: C25H35ClN4O2S MolecularWeight: 491.089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35ClN4O2S/c1-3-4-5-6-7-8-9-10-11-12-17-30-21-22(29(2)24(32)28-23(21)31)27-25(30)33-18-19-13-15-20(26)16-14-19/h13-16H,3-12,17-18H2,1-2H3,(H,28,31,32)