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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-heptyl-3-methyl-xanthine Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25ClN4O2S/c1-3-4-5-6-7-12-25-16-17(24(2)19(27)23-18(16)26)22-20(25)28-13-14-8-10-15(21)11-9-14/h8-11H,3-7,12-13H2,1-2H3,(H,23,26,27)