Methyl 4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate

SpectraBase Compound ID	Hqr4iQtjbR9
InChI	InChI=1S/C16H16N4O2S/c1-22-15(21)10-5-2-9(3-6-10)4-7-11-8-23-14-12(11)13(17)19-16(18)20-14/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20)
InChIKey	SWZWPRVLOQTZET-UHFFFAOYSA-N Google Search
Mol Weight	328.39 g/mol
Molecular Formula	C16H16N4O2S
Exact Mass	328.099397 g/mol

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SpectraBase Spectrum ID	2ClcCmnBNYn
Name	Methyl 4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H16N4O2S
InChI	InChI=1S/C16H16N4O2S/c1-22-15(21)10-5-2-9(3-6-10)4-7-11-8-23-14-12(11)13(17)19-16(18)20-14/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20)
InChIKey	SWZWPRVLOQTZET-UHFFFAOYSA-N
Molecular Weight	328.390 g/mol
SMILES	Nc1nc(c2c(n1)scc2CCc1ccc(C(=O)OC)cc1)N
SPLASH	splash10-004i-0904000000-7d8b953fba555cca5635
Source of Spectrum	H1-43-357-18
Synonyms	4-[2-(2,4-diamino-5-thieno[2,3-d]pyrimidinyl)ethyl]benzoic acid methyl ester 4-[2-(2,4-diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester methyl 4-[2-[2,4-bis(azanyl)thieno[2,3-d]pyrimidin-5-yl]ethyl]benzoate
Wiley ID	757808