98548-79-9 Purity
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The molecular formula of the compound is C7H6N4OS.
The molecular weight of the compound is 194.22 g/mol.
The IUPAC name of the compound is 2-methylsulfanyl-7H-pyrimido[5,4-d]pyrimidin-8-one.
The InChIKey of the compound is AVUWNHRPNQVSOI-UHFFFAOYSA-N.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor count.
The exact mass of the compound is 194.02623200 g/mol.
The topological polar surface area of the compound is 92.5 Ų.
The compound contains 13 heavy atoms.
Yes, the compound is canonicalized.