7a-Methyl-4-(hydroxycarbonyl)-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole

SpectraBase Compound ID	DybJ8HyVn8i
InChI	InChI=1S/C12H13N3O2S/c1-12-4-5-13-11(18)15(12)9-6-7(10(16)17)2-3-8(9)14-12/h2-3,6,14H,4-5H2,1H3,(H,13,18)(H,16,17)
InChIKey	WTGNYXGDHYMTNE-UHFFFAOYSA-N Google Search
Mol Weight	263.31 g/mol
Molecular Formula	C12H13N3O2S
Exact Mass	263.072848 g/mol

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SpectraBase Spectrum ID	6suSKm74tIS
Name	7a-Methyl-4-(hydroxycarbonyl)-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole
Alternate Name(s)	4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid 4a-methyl-1-thioxo-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-8-carboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13N3O2S
InChI	InChI=1S/C12H13N3O2S/c1-12-4-5-13-11(18)15(12)9-6-7(10(16)17)2-3-8(9)14-12/h2-3,6,14H,4-5H2,1H3,(H,13,18)(H,16,17)
InChIKey	WTGNYXGDHYMTNE-UHFFFAOYSA-N
Molecular Weight	263.315 g/mol
SMILES	N1c2c(N3C(NCCC13C)=S)cc(cc2)C(=O)O
SPLASH	splash10-0002-0290000000-0ea5a3d09eb541a8a33a
Source of Spectrum	B-54-463-2
Wiley ID	811014