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4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

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4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
SpectraBase Compound ID 9vU8Py5CY9
InChI InChI=1S/C25H28BrN3O3S/c1-14-8-4-7-11-19(14)28-24(30)21-15(2)27-25(33)29-22(21)16-12-18(26)23(20(13-16)31-3)32-17-9-5-6-10-17/h4,7-8,11-13,17,22H,5-6,9-10H2,1-3H3,(H,28,30)(H2,27,29,33)
InChIKey YRAXATXMBQFIGU-UHFFFAOYSA-N
Mol Weight 530.48 g/mol
Molecular Formula C25H28BrN3O3S
Exact Mass 529.103476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kUjsyMtEAi
Name 4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
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/C25H28BrN3O3S/c1-14-8-4-7-11-19(14)28-24(30)21-15(2)27-25(33)29-22(21)16-12-18(26)23(20(13-16)31-3)32-17-9-5-6-10-17/h4,7-8,11-13,17,22H,5-6,9-10H2,1-3H3,(H,28,30)(H2,27,29,33)
InChIKey YRAXATXMBQFIGU-UHFFFAOYSA-N
NMR Offset 17.911
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31559
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: 1843018; SBI_ID: SBI-031563
Temperature 303 °C