3-methyl-8-(2-methylpropylsulfanyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-pentyl-purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(isobutylthio)-3-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O2S/c1-5-6-7-8-19-11-12(16-15(19)22-9-10(2)3)18(4)14(21)17-13(11)20/h10H,5-9H2,1-4H3,(H,17,20,21)