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2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-oxo-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid

View entire compound with spectra: 1 NMR

2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-oxo-3,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
SpectraBase Compound ID DEYfRbCaRgn
InChI InChI=1S/C25H22N6O3S/c1-13-4-9-18-20(10-13)35-22(28-18)16-5-7-17(8-6-16)31-19(23(33)34)12-21(32)29-25(31)30-24-26-14(2)11-15(3)27-24/h4-11,19H,12H2,1-3H3,(H,33,34)(H,26,27,29,30,32)
InChIKey XGTUPMDABPQUNI-UHFFFAOYSA-N
Mol Weight 486.55 g/mol
Molecular Formula C25H22N6O3S
Exact Mass 486.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FkwOqYcU0qf
Name 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-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/C25H22N6O3S/c1-13-4-9-18-20(10-13)35-22(28-18)16-5-7-17(8-6-16)31-19(23(33)34)12-21(32)29-25(31)30-24-26-14(2)11-15(3)27-24/h4-11,19H,12H2,1-3H3,(H,33,34)(H,26,27,29,30,32)
InChIKey XGTUPMDABPQUNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13828
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: D91329; Labnumber: VGU-30948; SBI_ID: SBI-013831
Temperature 318 °C