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3-(4-chlorobenzyl)-1-methyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 4RymgWx2Rij
InChI InChI=1S/C22H20ClN5O2/c1-25-19-18(20(29)28(22(25)30)14-15-8-10-16(23)11-9-15)27-13-5-12-26(21(27)24-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3
InChIKey XWILJDNXTJOXKU-UHFFFAOYSA-N
Mol Weight 421.89 g/mol
Molecular Formula C22H20ClN5O2
Exact Mass 421.130553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WjJn7LJNMA
Name 3-(4-chlorobenzyl)-1-methyl-9-phenyl-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/C22H20ClN5O2/c1-25-19-18(20(29)28(22(25)30)14-15-8-10-16(23)11-9-15)27-13-5-12-26(21(27)24-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3
InChIKey XWILJDNXTJOXKU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8071
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: D50665; Labnumber: SC_0369-1015; SBI_ID: SBI-008074
Temperature 318 °C