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2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
SpectraBase Compound ID 8HvqzzQXF2p
InChI InChI=1S/C19H18ClN3OS2/c20-12-8-6-11(7-9-12)14(24)10-25-19-22-17(21)16-13-4-2-1-3-5-15(13)26-18(16)23-19/h6-9H,1-5,10H2,(H2,21,22,23)
InChIKey UAGLXIWKMPQPPR-UHFFFAOYSA-N
Mol Weight 403.95 g/mol
Molecular Formula C19H18ClN3OS2
Exact Mass 403.057982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EzodV2C03Go
Name 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
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/C19H18ClN3OS2/c20-12-8-6-11(7-9-12)14(24)10-25-19-22-17(21)16-13-4-2-1-3-5-15(13)26-18(16)23-19/h6-9H,1-5,10H2,(H2,21,22,23)
InChIKey UAGLXIWKMPQPPR-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11957
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 800834; Labnumber: AE95-556; VK_ID: VK-011962
Temperature 318 °C