2,2-Dimethyl-N-[4-oxo-7-(p-tolylsulfonyl)-1H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide

SpectraBase Compound ID	Bd6c2PzFrrE
InChI	InChI=1S/C18H20N4O4S/c1-11-5-7-12(8-6-11)27(25,26)22-10-9-13-14(22)19-17(20-15(13)23)21-16(24)18(2,3)4/h5-10H,1-4H3,(H2,19,20,21,23,24)
InChIKey	WBLXCKBZFNYJNS-UHFFFAOYSA-N Google Search
Mol Weight	388.44 g/mol
Molecular Formula	C18H20N4O4S
Exact Mass	388.120526 g/mol

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SpectraBase Spectrum ID	8jfOFzVdziZ
Name	2,2-Dimethyl-N-[4-oxo-7-(p-tolylsulfonyl)-1H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20N4O4S
InChI	InChI=1S/C18H20N4O4S/c1-11-5-7-12(8-6-11)27(25,26)22-10-9-13-14(22)19-17(20-15(13)23)21-16(24)18(2,3)4/h5-10H,1-4H3,(H2,19,20,21,23,24)
InChIKey	WBLXCKBZFNYJNS-UHFFFAOYSA-N
Molecular Weight	388.442 g/mol
SMILES	N1C(c2cc[n](c2N=C1NC(C(C)(C)C)=O)S(c1ccc(cc1)C)(=O)=O)=O
SPLASH	splash10-000j-7955000000-e7c499c42ce92551aa35
Source of Spectrum	J-61-1264-12
Synonyms	2,2-Dimethyl-N-[7-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide 2,2-Dimethyl-N-[7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide N-(4-keto-7-tosyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide
Wiley ID	1363649