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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(4-chlorobenzyl)thio]-3-methyl-xanthine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21ClN4O2S/c1-3-4-5-10-23-14-15(22(2)17(25)21-16(14)24)20-18(23)26-11-12-6-8-13(19)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,21,24,25)