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IUPAC Name: 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione | CAS Registry Number: 18000-89-0
Synonyms: 8-Mercaptocaffeine, 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3,7-trimethyl-8-thioxo-, CAFFEINE, 8-MERCAPTO-, ST50274560, 1790-74-5, NSC11258, AC1LG2ZF, AC1Q6CVB, SureCN9123418, CTK4D7186, CTK8D6946, MolPort-001-002-051, MolPort-019-772-425, AR-1C3788, NSC-11258, AKOS000291422, AG-E-29452, MCULE-4110501571, BAS 04300955, LS-48591

Molecular Formula:	C₈H₁₀N₄O₂S	Molecular Weight:	226.255600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PBFGLXCHNDQITC-UHFFFAOYSA-N