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

Systemtic Name: 8-methylsulfanyl-3-pentyl-7H-purine-2,6-dione Openeye Name: 8-methylsulfanyl-3-pentyl-7H-purine-2,6-dione CAS Name: 8-(methylthio)-3-pentyl-7H-purine-2,6-dione IUPAC Name: 8-methylsulfanyl-3-pentyl-7H-purine-2,6-dione Traditional Name: 3-amyl-8-(methylthio)-7H-purine-2,6-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)SC

Isomeric SMILES

CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)SC

InChI

InChI=1S/C11H16N4O2S/c1-3-4-5-6-15-8-7(9(16)14-11(15)17)12-10(13-8)18-2/h3-6H2,1-2H3,(H,12,13)(H,14,16,17)