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5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID H19UMSCpOZI
InChI InChI=1S/C18H19N5O4/c1-4-12(13-15(24)20-18(27)21-16(13)25)19-14-10(2)22(3)23(17(14)26)11-8-6-5-7-9-11/h5-9,19H,4H2,1-3H3,(H2,20,21,24,25,27)
InChIKey WZRNLLPZGQJCTP-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C18H19N5O4
Exact Mass 369.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEHpFwhpMYC
Name 5-{1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.143704108 u
Formula C18H19N5O4
InChI InChI=1S/C18H19N5O4/c1-4-12(13-15(24)20-18(27)21-16(13)25)19-14-10(2)22(3)23(17(14)26)11-8-6-5-7-9-11/h5-9,19H,4H2,1-3H3,(H2,20,21,24,25,27)
InChIKey WZRNLLPZGQJCTP-UHFFFAOYSA-N
Molecular Weight 369.381 g/mol
SMILES N(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C(=C1C(NC(NC1=O)=O)=O)CC