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7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione

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7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FefHPl2Sgrn
InChI InChI=1S/C19H23ClFN5O2/c1-4-5-6-10-22-18-23-16-15(17(27)25(3)19(28)24(16)2)26(18)11-12-13(20)8-7-9-14(12)21/h7-9H,4-6,10-11H2,1-3H3,(H,22,23)
InChIKey PQCIFIDCYHKTNI-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C19H23ClFN5O2
Exact Mass 407.152431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 67U2z1qQxA5
Name 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-(pentylamino)-3,7-dihydro-1H-purine-2,6-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/C19H23ClFN5O2/c1-4-5-6-10-22-18-23-16-15(17(27)25(3)19(28)24(16)2)26(18)11-12-13(20)8-7-9-14(12)21/h7-9H,4-6,10-11H2,1-3H3,(H,22,23)
InChIKey PQCIFIDCYHKTNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25723
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: D60614; Labnumber: LRP02-0814; SBI_ID: SBI-025727
Temperature 318 °C