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Ethyl 2-(4-amino-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ylidene)-3-iminopropanoate

View entire compound with spectra: 1 MS (GC)

Ethyl 2-(4-amino-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ylidene)-3-iminopropanoate
SpectraBase Compound ID 6PFKcfTr3tR
InChI InChI=1S/C16H15ClN6O2/c1-2-25-16(24)11(7-18)14-21-13(19)12-8-20-23(15(12)22-14)10-5-3-9(17)4-6-10/h3-8,18,22H,2H2,1H3,(H2,19,21)/b14-11-,18-7?
InChIKey YIULGEONUUVWMF-OQQDOWHNSA-N
Mol Weight 358.79 g/mol
Molecular Formula C16H15ClN6O2
Exact Mass 358.094501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50CBwsIH0m3
Name Ethyl 2-(4-amino-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ylidene)-3-iminopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN6O2
InChI InChI=1S/C16H15ClN6O2/c1-2-25-16(24)11(7-18)14-21-13(19)12-8-20-23(15(12)22-14)10-5-3-9(17)4-6-10/h3-8,18,22H,2H2,1H3,(H2,19,21)/b14-11-,18-7?
InChIKey YIULGEONUUVWMF-OQQDOWHNSA-N
Literature Reference DOI 10.1002/ardp.201000188
Molecular Weight 358.789 g/mol
SMILES N1\C(N=C(c2c1[n](nc2)-c1ccc(cc1)Cl)N)=C/(C(OCC)=O)C=N
SPLASH splash10-0a4i-0109000000-ed2cd8a2b4e26731078d
Source of Spectrum APC-344-194-16b
Synonyms (E)-ethyl 2-(4-amino-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ylidene)-3-iminopropanoate
Wiley ID 1769227