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2-(4-Chlorophenyl)-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-dione

View entire compound with spectra: 1 MS (GC)

2-(4-Chlorophenyl)-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-dione
SpectraBase Compound ID AM6H6P7p1Mg
InChI InChI=1S/C12H10ClN5O2/c1-16-10-9(11(19)17(2)12(16)20)14-18(15-10)8-5-3-7(13)4-6-8/h3-6H,1-2H3
InChIKey DRJZNZBUSCZHNO-UHFFFAOYSA-N
Mol Weight 291.7 g/mol
Molecular Formula C12H10ClN5O2
Exact Mass 291.052302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PvAYmCgByA
Name 2-(4-Chlorophenyl)-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN5O2
InChI InChI=1S/C12H10ClN5O2/c1-16-10-9(11(19)17(2)12(16)20)14-18(15-10)8-5-3-7(13)4-6-8/h3-6H,1-2H3
InChIKey DRJZNZBUSCZHNO-UHFFFAOYSA-N
Molecular Weight 291.698 g/mol
SMILES C1(N(c2c(C(N1C)=O)n[n](n2)-c1ccc(cc1)Cl)C)=O
SPLASH splash10-0006-1290000000-b7b5cfd33a6a0a520fc8
Source of Spectrum O1-60-2682-3
Synonyms 2-(4-Chlorophenyl)-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-quinone 2-(4-Chlorophenyl)-4,6-dimethyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
Wiley ID 1592232