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8-[(2E)-2-[(2,3-dimethoxyphenyl)methylene]hydrazino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione
SpectraBase Compound ID Ddi5MPJjDPj
InChI InChI=1S/C18H22N6O5/c1-22-15-13(16(26)23(2)18(22)27)24(8-9-25)17(20-15)21-19-10-11-6-5-7-12(28-3)14(11)29-4/h5-7,10,25H,8-9H2,1-4H3,(H,20,21)/b19-10+
InChIKey LHEOAKMDSCPRRV-VXLYETTFSA-N
Mol Weight 402.41 g/mol
Molecular Formula C18H22N6O5
Exact Mass 402.165168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1SlKQ2MOJ0
Name 8-[(2E)-2-[(2,3-Dimethoxyphenyl)methylene]hydrazino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.165167827 u
Formula C18H22N6O5
InChI InChI=1S/C18H22N6O5/c1-22-15-13(16(26)23(2)18(22)27)24(8-9-25)17(20-15)21-19-10-11-6-5-7-12(28-3)14(11)29-4/h5-7,10,25H,8-9H2,1-4H3,(H,20,21)/b19-10+
InChIKey LHEOAKMDSCPRRV-VXLYETTFSA-N
Molecular Weight 402.411 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCO)C(=N1)N\N=C\C1=C(C(OC)=CC=C1)OC