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

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-7-hexyl-3-methyl-xanthine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23ClN4O2S/c1-3-4-5-8-11-24-15-16(23(2)18(26)22-17(15)25)21-19(24)27-12-13-9-6-7-10-14(13)20/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,22,25,26)