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

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(2-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=CC=C3Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

InChI

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