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7a-Methyl-4-benzoyl-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole
SpectraBase Compound ID 6eZVOzqHHe2
InChI InChI=1S/C18H17N3OS/c1-18-9-10-19-17(23)21(18)15-11-13(7-8-14(15)20-18)16(22)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3,(H,19,23)
InChIKey YPBCCKRBCSWSOH-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C18H17N3OS
Exact Mass 323.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRqjzpbIjdX
Name 7a-Methyl-4-benzoyl-2-thioxo-(perhydro)pyrimido[3,4-b]benzimidazole
Alternate Name(s) (4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone (4a-methyl-1-thioxo-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone (4a-methyl-1-sulfanylidene-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazol-8-yl)-phenylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c1-18-9-10-19-17(23)21(18)15-11-13(7-8-14(15)20-18)16(22)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3,(H,19,23)
InChIKey YPBCCKRBCSWSOH-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
SMILES N1c2c(N3C(NCCC13C)=S)cc(cc2)C(=O)c1ccccc1
SPLASH splash10-0a6r-4019000000-a892bbb3e380d7acb581
Source of Spectrum B-54-463-2
Wiley ID 811017