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Diethyl 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)methylene)malonate
SpectraBase Compound ID 76mxIoBvQ1m
InChI InChI=1S/C19H18ClN5O4/c1-3-28-18(26)15(19(27)29-4-2)9-21-16-14-10-24-25(17(14)23-11-22-16)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,21,22,23)
InChIKey DVGUXKJOEDACNY-UHFFFAOYSA-N
Mol Weight 415.84 g/mol
Molecular Formula C19H18ClN5O4
Exact Mass 415.104732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAZ1xsRbhbo
Name Diethyl 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)methylene)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClN5O4
InChI InChI=1S/C19H18ClN5O4/c1-3-28-18(26)15(19(27)29-4-2)9-21-16-14-10-24-25(17(14)23-11-22-16)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,21,22,23)
InChIKey DVGUXKJOEDACNY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000188
Molecular Weight 415.837 g/mol
SMILES N(c1c2c(ncn1)[n](nc2)-c1ccc(cc1)Cl)C=C(C(=O)OCC)C(OCC)=O
SPLASH splash10-0006-0169100000-30565ad331f1d0ff64ec
Source of Spectrum APC-344-193-11b
Synonyms Diethyl 2-(((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)methylene)malonate 2-[[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester Diethyl 2-[[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methylene]propanedioate Diethyl 2-[[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methylidene]propanedioate
Wiley ID 1769220