2-Aziridinecarboxylic acid, 1-[4-oxo-2-(1,2,2-trimethylpropyl)-3(4H)-quinazolinyl]-, 1,1-dimethylethyl ester

SpectraBase Compound ID	4QO0yU0uYbu
InChI	InChI=1S/C21H29N3O3/c1-13(20(2,3)4)17-22-15-11-9-8-10-14(15)18(25)24(17)23-12-16(23)19(26)27-21(5,6)7/h8-11,13,16H,12H2,1-7H3
InChIKey	OUJSQXGHMWCHAI-UHFFFAOYSA-N Google Search
Mol Weight	371.48 g/mol
Molecular Formula	C21H29N3O3
Exact Mass	371.220892 g/mol

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SpectraBase Spectrum ID	4HHfvxxVgHo
Name	2-Aziridinecarboxylic acid, 1-[4-oxo-2-(1,2,2-trimethylpropyl)-3(4H)-quinazolinyl]-, 1,1-dimethylethyl ester
CAS Registry Number	116065-11-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H29N3O3
InChI	InChI=1S/C21H29N3O3/c1-13(20(2,3)4)17-22-15-11-9-8-10-14(15)18(25)24(17)23-12-16(23)19(26)27-21(5,6)7/h8-11,13,16H,12H2,1-7H3
InChIKey	OUJSQXGHMWCHAI-UHFFFAOYSA-N
Molecular Weight	371.481 g/mol
SMILES	C1(N(N2C(=Nc3c(C2=O)cccc3)C(C(C)(C)C)C)C1)C(OC(C)(C)C)=O
SPLASH	splash10-00xr-0902000000-f828a3822eae24c9145a
Source of Spectrum	KC-1987-2805-6
Synonyms	3-(2-t-butoxycarbonylazridin-1-yl)-2-(1,2,2-trimethylpropyl)quinazolin-4(3H)-one tert-Butyl 1-(4-oxo-2-(1,2,2-trimethylpropyl)-3(4H)-quinazolinyl)-2-aziridinecarboxylate
Wiley ID	1355033