3-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

SpectraBase Compound ID	5569G4wvvPu
InChI	InChI=1S/C21H19N5S/c1-21(2)11-13-7-3-4-8-14(13)17(24-21)12-27-20-23-19-18(25-26-20)15-9-5-6-10-16(15)22-19/h3-10H,11-12H2,1-2H3,(H,22,23,26)
InChIKey	IPZLWMCLGBNNOP-UHFFFAOYSA-N Google Search
Mol Weight	373.48 g/mol
Molecular Formula	C21H19N5S
Exact Mass	373.136117 g/mol

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SpectraBase Spectrum ID	Dqxpgiiy4jH
Name	3-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Alternate Name(s)	3-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-5H-[1,2,4]triazino[5,6-b]indole 3-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-5H-[1,2,4]triazin[5,6-b]indole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H19N5S
InChI	InChI=1S/C21H19N5S/c1-21(2)11-13-7-3-4-8-14(13)17(24-21)12-27-20-23-19-18(25-26-20)15-9-5-6-10-16(15)22-19/h3-10H,11-12H2,1-2H3,(H,22,23,26)
InChIKey	IPZLWMCLGBNNOP-UHFFFAOYSA-N
Molecular Weight	373.478 g/mol
SMILES	[nH]1c2ccccc2c2c1nc(nn2)SCC1=NC(C)(C)Cc2c1cccc2
SPLASH	splash10-00ke-4906000000-e55d4c0e384f14bbe1d1
Wiley ID	1443887