2-(5-azanyl-6-morpholin-4-ylcarbonyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-ethanone

SpectraBase Compound ID	1EqUWoUkr8s
InChI	InChI=1S/C21H28N6O4S2/c22-16-15-18(26-3-1-2-4-26)23-21(32-13-14(28)25-5-9-30-10-6-25)24-19(15)33-17(16)20(29)27-7-11-31-12-8-27/h1-13,22H2
InChIKey	SLDABUIVVSYAIU-UHFFFAOYSA-N Google Search
Mol Weight	492.61 g/mol
Molecular Formula	C21H28N6O4S2
Exact Mass	492.161346 g/mol

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SpectraBase Spectrum ID	IOeNXCnsScU
Name	2-(5-azanyl-6-morpholin-4-ylcarbonyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-morpholin-4-yl-ethanone
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28N6O4S2
InChI	InChI=1S/C21H28N6O4S2/c22-16-15-18(26-3-1-2-4-26)23-21(32-13-14(28)25-5-9-30-10-6-25)24-19(15)33-17(16)20(29)27-7-11-31-12-8-27/h1-13,22H2
InChIKey	SLDABUIVVSYAIU-UHFFFAOYSA-N
Molecular Weight	492.613 g/mol
SMILES	Nc1c2c(nc(nc2sc1C(N1CCOCC1)=O)SCC(N1CCOCC1)=O)N1CCCC1
SPLASH	splash10-0006-0003900000-c763903ef933a082766b
Source of Spectrum	AJ-42-846-9
Synonyms	2-[5-amino-6-(morpholine-4-carbonyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone 2-[5-amino-6-(morpholine-4-carbonyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone 2-[[5-amino-6-(morpholine-4-carbonyl)-4-pyrrolidino-thieno[2,3-d]pyrimidin-2-yl]thio]-1-morpholino-ethanone 2-[[5-amino-6-[4-morpholinyl(oxo)methyl]-4-(1-pyrrolidinyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-(4-morpholinyl)ethanone
Wiley ID	1568021