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3,4,4a,5-tetrahydro-8-carboxyl-3-methylpyrimido[1,6-a]benzimidazol-1(2H)-thione
SpectraBase Compound ID 3qdfWhzOGJ2
InChI InChI=1S/C12H13N3O2S/c1-6-4-10-14-8-3-2-7(11(16)17)5-9(8)15(10)12(18)13-6/h2-3,5-6,10,14H,4H2,1H3,(H,13,18)(H,16,17)
InChIKey OKQBYGXDHJLMQQ-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5F9Qq27lHF
Name 3,4,4a,5-tetrahydro-8-carboxyl-3-methylpyrimido[1,6-a]benzimidazol-1(2H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-6-4-10-14-8-3-2-7(11(16)17)5-9(8)15(10)12(18)13-6/h2-3,5-6,10,14H,4H2,1H3,(H,13,18)(H,16,17)
InChIKey OKQBYGXDHJLMQQ-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES N1C(CC2N(c3cc(C(=O)O)ccc3N2)C1=S)C
SPLASH splash10-03di-0960000000-dea189a8afb2908a03c0
Source of Spectrum EMC-37-840-2d
Synonyms 3,4,4a,5-tetrahydro-8-carboxyl-3-methylpyrimido[1,6-a]benzimidazol-1(2H)thione 3-Methyl-1-thioxo-1,2,3,4,4a,5-hexahydrobenzo[4,5]imidazo[1,2-c]pyrimidine-8-carboxylic acid 3-Methyl-1-sulfanylidene-3,4,4a,5-tetrahydro-2H-pyrimido[1,6-a]benzimidazole-8-carboxylic acid
Wiley ID 1734695