For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE

Compound with spectra: 1 NMR, and 1 MS (GC)

2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID L14XxTLLRpE
InChI InChI=1S/C21H19N5O3S/c1-25-20(27)18-19(24-21(25)30-2)23-17(13-6-4-3-5-7-13)12-16(22-18)14-8-10-15(11-9-14)26(28)29/h3-11,17,23H,12H2,1-2H3
InChIKey WSASOTZFWHBMOA-UHFFFAOYSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H19N5O3S
Exact Mass 421.120861 g/mol

View Spectrum of 2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y-31-64-3

View Spectrum of 2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 2,3,6,7-Tetrahydro-8-methylthio-7-methyl-4-(4'-nitrophenyl)-2-phenyl-1H-pyrimodo[4,5-b]-[1,4]-diazepin-6-one
4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-7-METHYL-8-METHYLTHIO-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
4-(4-CHLOROPHENYL)-2,3,6,7-TETRAHYDRO-8-METHOXY-7-METHYL-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
3-Methyl-2-(methylthio)-7(R)-phenyl-6-[(R)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido-[4,5-d]pyrimidin-4(3H)-one
3-Methyl-2-(methylthio)-7(S)-phenyl-6-((R)-1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one
3-methyl-2-(methylthio)-7(R)-phenyl-6-[(S)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-one
3-Methyl-2-(methylthio)-7(S)-phenyl-6-[(S)-1-phenylethyl]-5,6,7,8-tetrahydropyrimido-[4,5-d]pyrimidin-4(3H)-one
methyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
(R)-5-(4-Dimethylaminophenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-propionyl-4,5-dihydro-1H-pyrazole
3a,6a-dihydro-5-methyl-3-trans-(2-phenylethenyl)-3H,5H-1-phenylylpyrrolo[3,4-c]pyrrol-4,6-dione
1-(2-Bromoacetyl)-4,5-dihydro-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole
Title Journal or Book Year
The reaction of aromatic α,β-unsaturated ketones with 4,5-diamino-1,6-dihydropyrimidin-6-ones Journal of Heterocyclic Chemistry 1994
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.