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

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylthio]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(4-methylbenzyl)thio]xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-4-5-6-11-23-15-16(22(3)18(25)21-17(15)24)20-19(23)26-12-14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,21,24,25)