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2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

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2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID KRwrRUvacY6
InChI InChI=1S/C21H21N3O3S2/c1-3-11-24-20(26)18-15-5-4-6-16(15)29-19(18)23-21(24)28-12-17(25)22-13-7-9-14(27-2)10-8-13/h3,7-10H,1,4-6,11-12H2,2H3,(H,22,25)
InChIKey ANLOKTJHPVOILZ-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUO2OP2TMMj
Name 2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
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/C21H21N3O3S2/c1-3-11-24-20(26)18-15-5-4-6-16(15)29-19(18)23-21(24)28-12-17(25)22-13-7-9-14(27-2)10-8-13/h3,7-10H,1,4-6,11-12H2,2H3,(H,22,25)
InChIKey ANLOKTJHPVOILZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20706
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: D17411; Labnumber: Tolk-0098; SBI_ID: SBI-020710
Temperature 315 °C