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2-(Pyrimidin-2-ylsulfanylmethyl)-3-o-tolyl-3H-quinazolin-4-one

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(Pyrimidin-2-ylsulfanylmethyl)-3-o-tolyl-3H-quinazolin-4-one
SpectraBase Compound ID F0TllDm1c7M
InChI InChI=1S/C20H16N4OS/c1-14-7-2-5-10-17(14)24-18(13-26-20-21-11-6-12-22-20)23-16-9-4-3-8-15(16)19(24)25/h2-12H,13H2,1H3
InChIKey YSXDIJVVDSNNBC-UHFFFAOYSA-N
Mol Weight 360.44 g/mol
Molecular Formula C20H16N4OS
Exact Mass 360.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8jnsRC1h0x
Name 2-(Pyrimidin-2-ylsulfanylmethyl)-3-o-tolyl-3H-quinazolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.104482324 u
Formula C20H16N4OS
InChI InChI=1S/C20H16N4OS/c1-14-7-2-5-10-17(14)24-18(13-26-20-21-11-6-12-22-20)23-16-9-4-3-8-15(16)19(24)25/h2-12H,13H2,1H3
InChIKey YSXDIJVVDSNNBC-UHFFFAOYSA-N
Molecular Weight 360.435 g/mol
SMILES C1=CC=C(N2C(C=3C=CC=CC3N=C2CSC2=NC=CC=N2)=O)C(C)=C1