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3-[5-Amino-1-(4-methoxyphenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-methoxyphenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one

View entire compound with spectra: 1 MS (GC)

3-[5-Amino-1-(4-methoxyphenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-methoxyphenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
SpectraBase Compound ID 49lsY1PGS4z
InChI InChI=1S/C22H18N8O4/c1-33-15-7-3-13(4-8-15)28-19(23)17(11-24-28)21(31)30-22(32)18-12-25-29(20(18)26-27-30)14-5-9-16(34-2)10-6-14/h3-12H,23H2,1-2H3
InChIKey XJJRCWQUGRJMKI-UHFFFAOYSA-N
Mol Weight 458.44 g/mol
Molecular Formula C22H18N8O4
Exact Mass 458.145101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99YIhpac5Hp
Name 3-[5-Amino-1-(4-methoxyphenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-methoxyphenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.145101088 u
Formula C22H18N8O4
InChI InChI=1S/C22H18N8O4/c1-33-15-7-3-13(4-8-15)28-19(23)17(11-24-28)21(31)30-22(32)18-12-25-29(20(18)26-27-30)14-5-9-16(34-2)10-6-14/h3-12H,23H2,1-2H3
InChIKey XJJRCWQUGRJMKI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701538
Molecular Weight 458.438 g/mol
Quality 940
Reported Formula C22H18N8O4
SMILES NC1=C(C(N2N=NC3=C(C2=O)C=NN3C2=CC=C(C=C2)OC)=O)C=NN1C1=CC=C(C=C1)OC
SPLASH splash10-0fr6-9220000000-d902bcf21c3d7a8fee3c
Source of Spectrum K1-2018-1522-5c (DOI: 10.1002/ejoc.201701538)
Wiley ID 1893951