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3-Amino-7-methyl-6-(4-methylbenzyl)-5-oxo-2-phenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidin-2-ium-8-ide
SpectraBase Compound ID A63c2rlbSYZ
InChI InChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)12-17-14(2)22-20-23-25(16-6-4-3-5-7-16)19(21)24(20)18(17)26/h3-11,21H,12H2,1-2H3,(H,22,23,26)
InChIKey PDQKUTGUZOVMDF-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C20H19N5O
Exact Mass 345.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6f7PuToO14r
Name 3-Amino-7-methyl-6-(4-methylbenzyl)-5-oxo-2-phenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidin-2-ium-8-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O
InChI InChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)12-17-14(2)22-20-23-25(16-6-4-3-5-7-16)19(21)24(20)18(17)26/h3-11,21H,12H2,1-2H3,(H,22,23,26)
InChIKey PDQKUTGUZOVMDF-UHFFFAOYSA-N
Molecular Weight 345.406 g/mol
SMILES Nc1[n+](-c2ccccc2)nc2[n]1C(C(=C(C)[N-]2)Cc1ccc(cc1)C)=O
SPLASH splash10-00or-9401000000-ead3c0f9bd6539a6118b
Source of Spectrum F-66-3309-10d
Wiley ID 1683786