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Ethyl 3-(1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-2-cyanoacrylate
SpectraBase Compound ID 6mgmy8oPa8X
InChI InChI=1S/C17H13ClN6O2/c1-2-26-17(25)11(7-19)8-20-15-14-9-23-24(16(14)22-10-21-15)13-5-3-12(18)4-6-13/h3-6,8-10H,2H2,1H3,(H,20,21,22)/b11-8-
InChIKey AKMBJAAVMKKKAD-FLIBITNWSA-N
Mol Weight 368.78 g/mol
Molecular Formula C17H13ClN6O2
Exact Mass 368.078851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHBuDKp4UXF
Name Ethyl 3-(1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-2-cyanoacrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN6O2
InChI InChI=1S/C17H13ClN6O2/c1-2-26-17(25)11(7-19)8-20-15-14-9-23-24(16(14)22-10-21-15)13-5-3-12(18)4-6-13/h3-6,8-10H,2H2,1H3,(H,20,21,22)/b11-8-
InChIKey AKMBJAAVMKKKAD-FLIBITNWSA-N
Literature Reference DOI 10.1002/ardp.201000188
Molecular Weight 368.784 g/mol
SMILES N(c1c2c(ncn1)[n](nc2)-c1ccc(cc1)Cl)\C=C\(C#N)C(OCC)=O
SPLASH splash10-0002-0195000000-1ae46893722b18c310ad
Source of Spectrum APC-344-194-15b
Synonyms (Z)-ethyl 3-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-2-cyanoacrylate (Z)-3-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-2-cyano-2-propenoic acid ethyl ester Ethyl (Z)-3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-cyanoprop-2-enoate Ethyl (Z)-3-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-cyano-prop-2-enoate
Wiley ID 1769225