8-butylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O2S/c1-4-6-8-9-19-11-12(16-15(19)22-10-7-5-2)18(3)14(21)17-13(11)20/h4-10H2,1-3H3,(H,17,20,21)