2-Pivaloylamino-4-azido-9-ethylthio-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine

SpectraBase Compound ID	JhmrpAODzcR
InChI	InChI=1S/C17H25N7OS/c1-5-26-17-8-6-7-10(9-17)11-12(22-17)19-15(20-13(11)23-24-18)21-14(25)16(2,3)4/h10H,5-9H2,1-4H3,(H2,19,20,21,22,25)
InChIKey	CQGQJAJYINVKHV-UHFFFAOYSA-N Google Search
Mol Weight	375.5 g/mol
Molecular Formula	C17H25N7OS
Exact Mass	375.18413 g/mol

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SpectraBase Spectrum ID	Kv11wp7JtIg
Name	2-Pivaloylamino-4-azido-9-ethylthio-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H25N7OS
InChI	InChI=1S/C17H25N7OS/c1-5-26-17-8-6-7-10(9-17)11-12(22-17)19-15(20-13(11)23-24-18)21-14(25)16(2,3)4/h10H,5-9H2,1-4H3,(H2,19,20,21,22,25)
InChIKey	CQGQJAJYINVKHV-UHFFFAOYSA-N
Molecular Weight	375.495 g/mol
SMILES	N(c1nc2c(c(n1)N=[N+]=[N-])C1CCCC(N2)(C1)SCC)C(C(C)(C)C)=O
SPLASH	splash10-03dr-0029000000-c93b42a0c9ab85a1cc93
Source of Spectrum	J-64-444-13
Synonyms	N-[3-azido-9-(ethylsulfanyl)-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-5-yl]-2,2-dimethylpropanamide
Wiley ID	1529254