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3-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
SpectraBase Compound ID KH7N0h4Jtab
InChI InChI=1S/C17H16ClN5O3/c1-9-7-10(2)20-16(19-9)22-17-21-14(24)8-13(15(25)26)23(17)12-5-3-11(18)4-6-12/h3-7,13H,8H2,1-2H3,(H,25,26)(H,19,20,21,22,24)
InChIKey IILKPIHXGVQMCR-UHFFFAOYSA-N
Mol Weight 373.8 g/mol
Molecular Formula C17H16ClN5O3
Exact Mass 373.094167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApuVa5BFWe
Name 3-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
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/C17H16ClN5O3/c1-9-7-10(2)20-16(19-9)22-17-21-14(24)8-13(15(25)26)23(17)12-5-3-11(18)4-6-12/h3-7,13H,8H2,1-2H3,(H,25,26)(H,19,20,21,22,24)
InChIKey IILKPIHXGVQMCR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6985
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: D27307; Labnumber: VGU-18508; SBI_ID: SBI-006988
Temperature 315 °C