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2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)butanamide

View entire compound with spectra: 1 NMR

2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)butanamide
SpectraBase Compound ID KrxeUROv2P2
InChI InChI=1S/C25H23N5O3S2/c1-3-19(23(32)29-24-17(12-26)16-9-4-5-10-20(16)34-24)35-25-28-21(18(13-27)22(31)30-25)14-7-6-8-15(11-14)33-2/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKey MPEKJXXABYNDGH-UHFFFAOYSA-N
Mol Weight 505.61 g/mol
Molecular Formula C25H23N5O3S2
Exact Mass 505.124232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D1x8JkF33ef
Name 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)butanamide
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/C25H23N5O3S2/c1-3-19(23(32)29-24-17(12-26)16-9-4-5-10-20(16)34-24)35-25-28-21(18(13-27)22(31)30-25)14-7-6-8-15(11-14)33-2/h6-8,11,19H,3-5,9-10H2,1-2H3,(H,29,32)(H,28,30,31)
InChIKey MPEKJXXABYNDGH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12416
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/9121109; UBI_ID: UBI-012419
Temperature 313 °C