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3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid
SpectraBase Compound ID KxA4O8tVgFb
InChI InChI=1S/C14H17N3O2S/c1-13(2)7-14(3)15-9-5-4-8(11(18)19)6-10(9)17(14)12(20)16-13/h4-6,15H,7H2,1-3H3,(H,16,20)(H,18,19)
InChIKey ZFFUGWPVKNBWFY-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C14H17N3O2S
Exact Mass 291.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ltv9kL7IBg
Name 3,3,4a-trimethyl-1-sulfanylidene-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid
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Formula C14H17N3O2S
InChI InChI=1S/C14H17N3O2S/c1-13(2)7-14(3)15-9-5-4-8(11(18)19)6-10(9)17(14)12(20)16-13/h4-6,15H,7H2,1-3H3,(H,16,20)(H,18,19)
InChIKey ZFFUGWPVKNBWFY-UHFFFAOYSA-N
Molecular Weight 291.369 g/mol
SMILES N1c2c(cc(C(=O)O)cc2)N2C1(CC(NC2=S)(C)C)C
SPLASH splash10-0159-0090000000-624c356863498717b56e
Source of Spectrum B-54-72-3
Synonyms 3,3,4a-trimethyl-1-thioxo-4,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid
Wiley ID 811100