For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4,5,6(1H,3H)-pyrimidinetetrone 5-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone}

View entire compound with spectra: 2 NMR

2,4,5,6(1H,3H)-pyrimidinetetrone 5-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone}
SpectraBase Compound ID FFjFqDTQFcu
InChI InChI=1S/C19H18N8O5/c1-9-4-6-10(7-5-9)8-27-12-13(25(2)19(32)26(3)16(12)30)20-17(27)24-23-11-14(28)21-18(31)22-15(11)29/h4-7H,8H2,1-3H3,(H,20,24)(H2,21,22,28,29,31)
InChIKey JCLZCNFJUQDFRX-UHFFFAOYSA-N
Mol Weight 438.4 g/mol
Molecular Formula C19H18N8O5
Exact Mass 438.140016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 32E4ZJ3aYVR
Name 2,4,5,6(1H,3H)-Pyrimidinetetrone 5-{[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone}
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.140015707 u
Formula C19H18N8O5
InChI InChI=1S/C19H18N8O5/c1-9-4-6-10(7-5-9)8-27-12-13(25(2)19(32)26(3)16(12)30)20-17(27)24-23-11-14(28)21-18(31)22-15(11)29/h4-7H,8H2,1-3H3,(H,20,24)(H2,21,22,28,29,31)
InChIKey JCLZCNFJUQDFRX-UHFFFAOYSA-N
Molecular Weight 438.404 g/mol
SMILES N(N=C1C(NC(=O)NC1=O)=O)C1=NC2=C(N1CC=1C=CC(=CC1)C)C(=O)N(C(N2C)=O)C