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

Systemtic Name: 3-methyl-8-methylsulfanyl-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-methylsulfanyl-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-methylsulfanyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(methylthio)xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O2S/c1-4-5-6-7-16-8-9(13-12(16)19-3)15(2)11(18)14-10(8)17/h4-7H2,1-3H3,(H,14,17,18)