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

SpectraBase Compound ID	SgYSyQc5xa
InChI	InChI=1S/C17H27N5OS/c1-5-24-17-8-6-7-10(9-17)11-12(18)19-15(20-13(11)22-17)21-14(23)16(2,3)4/h10H,5-9H2,1-4H3,(H4,18,19,20,21,22,23)
InChIKey	UXCVQCXPYBHGND-UHFFFAOYSA-N Google Search
Mol Weight	349.5 g/mol
Molecular Formula	C17H27N5OS
Exact Mass	349.193632 g/mol

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SpectraBase Spectrum ID	CwCwLofOcFq
Name	2-Pivaloylamino-4-amino-9-ethylthio-5,6,7,8,9,10-hexahydro-5,9-methanopyrimido[4,5-b]azocine
Alternate Name(s)	N-[3-amino-9-(ethylsulfanyl)-4,6,8-triazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-5-yl]-2,2-dimethylpropanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H27N5OS
InChI	InChI=1S/C17H27N5OS/c1-5-24-17-8-6-7-10(9-17)11-12(18)19-15(20-13(11)22-17)21-14(23)16(2,3)4/h10H,5-9H2,1-4H3,(H4,18,19,20,21,22,23)
InChIKey	UXCVQCXPYBHGND-UHFFFAOYSA-N
Molecular Weight	349.497 g/mol
SMILES	N(c1nc2c(c(n1)N)C1CCCC(N2)(C1)SCC)C(C(C)(C)C)=O
SPLASH	splash10-052r-3093000000-f0245f4e8d821dfebc06
Source of Spectrum	J-64-444-14
Wiley ID	1529253