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3-heptyl-1-methyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 67Qt3lOtuz3
InChI InChI=1S/C23H31N5O2/c1-4-5-6-7-8-14-28-21(29)19-20(25(3)23(28)30)24-22-26(15-9-16-27(19)22)18-12-10-17(2)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKey YSMUJBNPEYWMDD-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C23H31N5O2
Exact Mass 409.247775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3zt86FaFBuG
Name 3-heptyl-1-methyl-9-(4-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/C23H31N5O2/c1-4-5-6-7-8-14-28-21(29)19-20(25(3)23(28)30)24-22-26(15-9-16-27(19)22)18-12-10-17(2)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKey YSMUJBNPEYWMDD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8074
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: D50670; Labnumber: SC_0369-1053; SBI_ID: SBI-008077
Temperature 318 °C