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2-[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]butanamide
SpectraBase Compound ID 5M7AGNTWwVh
InChI InChI=1S/C17H21N5O4S2/c1-3-9-22-14(18)10-15(23)21-17(22)27-13(4-2)16(24)20-11-5-7-12(8-6-11)28(19,25)26/h3,5-8,10,13H,1,4,9,18H2,2H3,(H,20,24)(H2,19,25,26)
InChIKey CPQQOQGQROWNKP-UHFFFAOYSA-N
Mol Weight 423.51 g/mol
Molecular Formula C17H21N5O4S2
Exact Mass 423.103497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HWDtWNy6ec
Name 2-[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]-N-[4-(aminosulfonyl)phenyl]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/C17H21N5O4S2/c1-3-9-22-14(18)10-15(23)21-17(22)27-13(4-2)16(24)20-11-5-7-12(8-6-11)28(19,25)26/h3,5-8,10,13H,1,4,9,18H2,2H3,(H,20,24)(H2,19,25,26)
InChIKey CPQQOQGQROWNKP-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8561
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: UZI/1009337; UBI_ID: UBI-008564
Temperature 308 °C