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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-isobutyl-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(methylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-isobutyl-1,3-dimethyl-8-(methylthio)xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O2S/c1-7(2)6-16-8-9(13-11(16)19-5)14(3)12(18)15(4)10(8)17/h7H,6H2,1-5H3