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

*Links on SpectraBase are not permalinks.

2-Methylthio-5-benzoylamino-3-phenylpyrimidin-4(3H)-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Methylthio-5-benzoylamino-3-phenylpyrimidin-4(3H)-one
SpectraBase Compound ID KGoDIYhAvwb
InChI InChI=1S/C18H15N3O2S/c1-24-18-19-12-15(20-16(22)13-8-4-2-5-9-13)17(23)21(18)14-10-6-3-7-11-14/h2-12H,1H3,(H,20,22)
InChIKey FQZCOEXQSVAJAE-UHFFFAOYSA-N
Mol Weight 337.4 g/mol
Molecular Formula C18H15N3O2S
Exact Mass 337.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID GsX4PsV3Bfi
Name 2-Methylthio-5-benzoylamino-3-phenylpyrimidin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.088497907 u
Formula C18H15N3O2S
InChI InChI=1S/C18H15N3O2S/c1-24-18-19-12-15(20-16(22)13-8-4-2-5-9-13)17(23)21(18)14-10-6-3-7-11-14/h2-12H,1H3,(H,20,22)
InChIKey FQZCOEXQSVAJAE-UHFFFAOYSA-N
Molecular Weight 337.397 g/mol
SMILES C=1(N(C(C(=CN1)NC(C=1C=CC=CC1)=O)=O)C=1C=CC=CC1)SC