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3-(4-Methoxyphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
SpectraBase Compound ID IHqS3Ybcwea
InChI InChI=1S/C12H10N4O3/c1-19-7-4-2-6(3-5-7)9-8-10(16-15-9)13-12(18)14-11(8)17/h2-5H,1H3,(H3,13,14,15,16,17,18)
InChIKey DSNGTWLZYIWWRF-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C12H10N4O3
Exact Mass 258.07529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L3dElGbRwB
Name 3-(4-Methoxyphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
Alternate Name(s) 3-(4-Methoxyphenyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-quinone
CAS Registry Number 129852-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O3
InChI InChI=1S/C12H10N4O3/c1-19-7-4-2-6(3-5-7)9-8-10(16-15-9)13-12(18)14-11(8)17/h2-5H,1H3,(H3,13,14,15,16,17,18)
InChIKey DSNGTWLZYIWWRF-UHFFFAOYSA-N
Molecular Weight 258.237 g/mol
SMILES N1C(NC(c2c1[nH]nc2-c1ccc(cc1)OC)=O)=O
SPLASH splash10-0006-9020000000-336b6cee216d5bcbff93
Source of Spectrum Y-27-658-15
Wiley ID 1261359