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

View entire compound with spectra: 1 NMR

2,4-Diamino-5-[3,5-dimethoxy-4-[p-anisyloxy]benzyl]pyrimidine
SpectraBase Compound ID 7x2elathCVQ
InChI InChI=1S/C20H22N4O4/c1-25-14-4-6-15(7-5-14)28-18-16(26-2)9-12(10-17(18)27-3)8-13-11-23-20(22)24-19(13)21/h4-7,9-11H,8H2,1-3H3,(H4,21,22,23,24)
InChIKey NCYILPMYYBRLNY-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C20H22N4O4
Exact Mass 382.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nCuFy7SCcI
Name 2,4-Diamino-5-[3,5-dimethoxy-4-[p-anisyloxy]benzyl]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.164105200 u
Formula C20H22N4O4
InChI InChI=1S/C20H22N4O4/c1-25-14-4-6-15(7-5-14)28-18-16(26-2)9-12(10-17(18)27-3)8-13-11-23-20(22)24-19(13)21/h4-7,9-11H,8H2,1-3H3,(H4,21,22,23,24)
InChIKey NCYILPMYYBRLNY-UHFFFAOYSA-N
Molecular Weight 382.420 g/mol
SMILES C1(=C(C=C(C=C1OC)CC1=CN=C(N)N=C1N)OC)OC1=CC=C(C=C1)OC