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

*Links on SpectraBase are not permalinks.
2-(Benzylamino)-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID soqxvrqybi
InChI InChI=1S/C21H18ClN3OS/c1-13-14(2)27-19-18(13)20(26)25(17-10-8-16(22)9-11-17)21(24-19)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
InChIKey IREUOSNXSLPKFC-UHFFFAOYSA-N
Mol Weight 395.91 g/mol
Molecular Formula C21H18ClN3OS
Exact Mass 395.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID II7Kud5ymb6
Name 2-(Benzylamino)-3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3OS
InChI InChI=1S/C21H18ClN3OS/c1-13-14(2)27-19-18(13)20(26)25(17-10-8-16(22)9-11-17)21(24-19)23-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)
InChIKey IREUOSNXSLPKFC-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.4.49
Molecular Weight 395.908 g/mol
SMILES N(Cc1ccccc1)C=1N(C(c2c(N1)sc(c2C)C)=O)c1ccc(cc1)Cl
SPLASH splash10-0f6t-1159000000-88ba591ad8b5b88a6745
Source of Spectrum BJO-4-5-8e
Wiley ID 1871516