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2-(4-oxo-3-phenylamino-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-anthraquinone

View entire compound with spectra: 1 MS (GC)

2-(4-oxo-3-phenylamino-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-anthraquinone
SpectraBase Compound ID HE0utgb1mvT
InChI InChI=1S/C25H15N5O3/c31-21-16-8-4-5-9-17(16)22(32)19-12-15(10-11-18(19)21)30-13-26-23-20(25(30)33)24(29-28-23)27-14-6-2-1-3-7-14/h1-13H,(H2,27,28,29)
InChIKey HOURBHIIGPTIAQ-UHFFFAOYSA-N
Mol Weight 433.43 g/mol
Molecular Formula C25H15N5O3
Exact Mass 433.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKCyEapmHLS
Name 2-(4-oxo-3-phenylamino-2,4-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-anthraquinone
Alternate Name(s) 2-(3-anilino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-5-yl)anthracene-9,10-dione 2-(4-oxidanylidene-3-phenylazanyl-2H-pyrazolo[3,4-d]pyrimidin-5-yl)anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15N5O3
InChI InChI=1S/C25H15N5O3/c31-21-16-8-4-5-9-17(16)22(32)19-12-15(10-11-18(19)21)30-13-26-23-20(25(30)33)24(29-28-23)27-14-6-2-1-3-7-14/h1-13H,(H2,27,28,29)
InChIKey HOURBHIIGPTIAQ-UHFFFAOYSA-N
Molecular Weight 433.427 g/mol
SMILES [nH]1nc2N=CN(C(c2c1Nc1ccccc1)=O)c1cc2C(c3ccccc3C(c2cc1)=O)=O
SPLASH splash10-001i-0040900000-1f1b9269d3465e664243
Source of Spectrum F2-45-1847-5
Wiley ID 1688962