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2,4-Diamino-5-[3,5-dimethoxy-4-[p-nitrophenoxy]benzyl]pyrimidine

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2,4-Diamino-5-[3,5-dimethoxy-4-[p-nitrophenoxy]benzyl]pyrimidine
SpectraBase Compound ID Awi3ghWBelg
InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
InChIKey XQQZRZPTLJNMLX-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C19H19N5O5
Exact Mass 397.138619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bL9bvpsorD
Name 2,4-Diamino-5-[3,5-dimethoxy-4-[p-nitrophenoxy]benzyl]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.138618727 u
Formula C19H19N5O5
InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
InChIKey XQQZRZPTLJNMLX-UHFFFAOYSA-N
Molecular Weight 397.391 g/mol
SMILES C1(=C(C=C(C=C1OC)CC1=CN=C(N)N=C1N)OC)OC1=CC=C(C=C1)N(=O)=O