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2,4-Diamino-5-pyrimidinyl 3,4,5-trimethoxybenzoate
SpectraBase Compound ID 4O3SWGS2J7J
InChI InChI=1S/C14H16N4O5/c1-20-8-4-7(5-9(21-2)11(8)22-3)13(19)23-10-6-17-14(16)18-12(10)15/h4-6H,1-3H3,(H4,15,16,17,18)
InChIKey HKNPDXIBSLFHEJ-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C14H16N4O5
Exact Mass 320.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvgZ1ZILS2K
Name 2,4-Diamino-5-pyrimidinyl 3,4,5-trimethoxybenzoate
CAS Registry Number 35967-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O5
InChI InChI=1S/C14H16N4O5/c1-20-8-4-7(5-9(21-2)11(8)22-3)13(19)23-10-6-17-14(16)18-12(10)15/h4-6H,1-3H3,(H4,15,16,17,18)
InChIKey HKNPDXIBSLFHEJ-UHFFFAOYSA-N
Molecular Weight 320.305 g/mol
SMILES Nc1ncc(c(n1)N)OC(=O)c1cc(c(OC)c(c1)OC)OC
SPLASH splash10-0002-2900000000-331026468346f3ffc272
Source of Spectrum NP-11-2027-0
Synonyms 2,4-Diamino-5-[3,4,5-trimethoxybenzoxy]pyrimidine 3,4,5-trimethoxybenzoic acid (2,4-diamino-5-pyrimidinyl) ester (2,4-diaminopyrimidin-5-yl) 3,4,5-trimethoxybenzoate [2,4-bis(azanyl)pyrimidin-5-yl] 3,4,5-trimethoxybenzoate
Wiley ID 1109444