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2-((3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-N'-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-oxoacetohydrazonoylcyanide

View entire compound with spectra: 1 MS (GC)

2-((3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-N'-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-oxoacetohydrazonoylcyanide
SpectraBase Compound ID LoMokPPXxWv
InChI InChI=1S/C21H22N8O2S/c1-10-8-11(2)24-18-15(10)19(29-27-18)28-26-13(9-22)20(31)25-21-16(17(23)30)12-6-4-3-5-7-14(12)32-21/h8H,3-7H2,1-2H3,(H2,23,30)(H,25,31)(H2,24,27,28,29)
InChIKey XQVDGWVEAAPUAM-UHFFFAOYSA-N
Mol Weight 450.52 g/mol
Molecular Formula C21H22N8O2S
Exact Mass 450.158643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID By37SzMf677
Name 2-((3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-N'-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-oxoacetohydrazonoylcyanide
Appearance Reddish brown powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N8O2S
InChI InChI=1S/C21H22N8O2S/c1-10-8-11(2)24-18-15(10)19(29-27-18)28-26-13(9-22)20(31)25-21-16(17(23)30)12-6-4-3-5-7-14(12)32-21/h8H,3-7H2,1-2H3,(H2,23,30)(H,25,31)(H2,24,27,28,29)
InChIKey XQVDGWVEAAPUAM-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4085
Molecular Weight 450.521 g/mol
SMILES [nH]1c(c2c(cc(nc2n1)C)C)NN=C(C(=O)Nc1c(C(N)=O)c2c(s1)CCCCC2)C#N
SPLASH splash10-03di-9000000000-d395f4b19a0c69fa6500
Source of Spectrum Y-57-3669-11a
Wiley ID 1859851