1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione

Molecular Formula: C₈H₁₀N₄O₂S

InChI: InChI=1/C8H10N4O2S/c1-10-5-4(9-7(10)15)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,15)/f/h9H

InChIKey: InChIKey=ULPYQIHKMUDZLR-BGGKNDAXCI
SMILES: CN1C2=C(C(=O)N(C(=O)N2C)C)NC1=S

Names:
    Isocaffeine, 8-mercapto-
    NSC 14290
    Uric acid, 1,3,9-trimethyl-8-thio- (8CI)
    1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione
    2564-54-7
    8-Mercaptoisocaffeine
    8-Thiol-iso-caffeine

Registries:
    PubChem CID 3033923
    PubChem ID 206161