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1-benzyl-3,5-dimethyl-4-methylene-6-phenyl-7-thioxo-3,4,6,7-tetrahydropyrimido[4,5-d]pyrimidin-2(1H)-one
SpectraBase Compound ID F3eAUfnUbrY
InChI InChI=1S/C22H20N4OS/c1-15-19-16(2)26(18-12-8-5-9-13-18)21(28)23-20(19)25(22(27)24(15)3)14-17-10-6-4-7-11-17/h4-13H,1,14H2,2-3H3
InChIKey JKEJUVQVBDECNX-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C22H20N4OS
Exact Mass 388.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSGm3IbyXUv
Name 1-benzyl-3,5-dimethyl-4-methylene-6-phenyl-7-thioxo-3,4,6,7-tetrahydropyrimido[4,5-d]pyrimidin-2(1H)-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/C22H20N4OS/c1-15-19-16(2)26(18-12-8-5-9-13-18)21(28)23-20(19)25(22(27)24(15)3)14-17-10-6-4-7-11-17/h4-13H,1,14H2,2-3H3
InChIKey JKEJUVQVBDECNX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7230
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: 9686357; UBI_ID: UBI-007233
Temperature 308 °C