8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-7-hexyl-1,3-dimethyl-xanthine Formula: C20H25ClN4O2S MolecularWeight: 420.9561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-4-5-6-9-12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)28-13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3