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

*Links on SpectraBase are not permalinks.
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
SpectraBase Compound ID 4shmPl0DsFO
InChI InChI=1S/C20H16ClN5OS/c1-12-16-4-2-3-5-17(16)24-19(22-12)26-20-23-14(10-18(27)25-20)11-28-15-8-6-13(21)7-9-15/h2-10H,11H2,1H3,(H2,22,23,24,25,26,27)
InChIKey MRMNCFGODMCHHJ-UHFFFAOYSA-N
Mol Weight 409.9 g/mol
Molecular Formula C20H16ClN5OS
Exact Mass 409.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 91ofzu64mXw
Name 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16ClN5OS/c1-12-16-4-2-3-5-17(16)24-19(22-12)26-20-23-14(10-18(27)25-20)11-28-15-8-6-13(21)7-9-15/h2-10H,11H2,1H3,(H2,22,23,24,25,26,27)
InChIKey MRMNCFGODMCHHJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6861
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D27062; Labnumber: VGU-0018769; SBI_ID: SBI-006864
Temperature 308 °C