1,3-dimethyl-7-(3-methylbutyl)-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(methylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(methylthio)xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H20N4O2S/c1-8(2)6-7-17-9-10(14-12(17)20-5)15(3)13(19)16(4)11(9)18/h8H,6-7H2,1-5H3