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3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 7gIMPfqndFB
InChI InChI=1S/C23H21ClFN5O2/c1-14-6-3-7-15(12-14)28-10-5-11-29-19-20(26-22(28)29)27(2)23(32)30(21(19)31)13-16-17(24)8-4-9-18(16)25/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKey GWEBJSRHSQNRTI-UHFFFAOYSA-N
Mol Weight 453.91 g/mol
Molecular Formula C23H21ClFN5O2
Exact Mass 453.136781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GksIYuKOsD3
Name 3-(2-chloro-6-fluorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
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/C23H21ClFN5O2/c1-14-6-3-7-15(12-14)28-10-5-11-29-19-20(26-22(28)29)27(2)23(32)30(21(19)31)13-16-17(24)8-4-9-18(16)25/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKey GWEBJSRHSQNRTI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13428
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: D88045; Labnumber: SC_0369-1387; SBI_ID: SBI-013431
Temperature 308 °C