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3-allyl-2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID Jabb301hzju
InChI InChI=1S/C20H18N4OS2/c1-2-10-24-19(25)17-12-6-5-9-15(12)27-18(17)23-20(24)26-11-16-21-13-7-3-4-8-14(13)22-16/h2-4,7-8H,1,5-6,9-11H2,(H,21,22)
InChIKey VECRMQHEYHLMOL-UHFFFAOYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C20H18N4OS2
Exact Mass 394.092204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMsU9u23Mwj
Name 3-allyl-2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
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/C20H18N4OS2/c1-2-10-24-19(25)17-12-6-5-9-15(12)27-18(17)23-20(24)26-11-16-21-13-7-3-4-8-14(13)22-16/h2-4,7-8H,1,5-6,9-11H2,(H,21,22)
InChIKey VECRMQHEYHLMOL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20709
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: D17416; Labnumber: Tolk-0127; SBI_ID: SBI-020713
Temperature 315 °C