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3,4,4a,5-Tetrahydro-8-benzoyl-3-methylpyrimido[1,6-a]benzimidazol-1(2H)thione
SpectraBase Compound ID DxqwsDFGLBD
InChI InChI=1S/C18H17N3OS/c1-11-9-16-20-14-8-7-13(10-15(14)21(16)18(23)19-11)17(22)12-5-3-2-4-6-12/h2-8,10-11,16,20H,9H2,1H3,(H,19,23)
InChIKey WYSIBTOFIMDDQA-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 8YP1rjtoWhl
Name 3,4,4a,5-Tetrahydro-8-benzoyl-3-methylpyrimido[1,6-a]benzimidazol-1(2H)thione
Alternate Name(s) (3-methyl-1-thioxo-1,2,3,4,4a,5-hexahydrobenzo[4,5]imidazo[1,2-c]pyrimidin-8-yl)(phenyl)methanone (3-methyl-1-sulfanylidene-3,4,4a,5-tetrahydro-2H-pyrimido[1,6-a]benzimidazol-8-yl)-phenylmethanone (3-methyl-1-sulfanylidene-3,4,4a,5-tetrahydro-2H-pyrimido[1,6-a]benzimidazol-8-yl)-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3OS
InChI InChI=1S/C18H17N3OS/c1-11-9-16-20-14-8-7-13(10-15(14)21(16)18(23)19-11)17(22)12-5-3-2-4-6-12/h2-8,10-11,16,20H,9H2,1H3,(H,19,23)
InChIKey WYSIBTOFIMDDQA-UHFFFAOYSA-N
Molecular Weight 323.414 g/mol
SMILES N1C(CC2N(C1=S)c1c(ccc(c1)C(=O)c1ccccc1)N2)C
SPLASH splash10-00di-2698000000-ff60fb052e7b302b5015
Source of Spectrum EMC-37-839-2f
Wiley ID 1734697