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3,6-Dihydro-3,6-diphenyl-5-(N-phenyl-N-methylamino)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID WPRQ5Wajwk
InChI InChI=1S/C23H18N6O/c1-27(17-11-5-2-6-12-17)23-24-21-20(22(30)28(23)18-13-7-3-8-14-18)25-26-29(21)19-15-9-4-10-16-19/h2-16H,1H3
InChIKey XKGOMPATGOWSJO-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C23H18N6O
Exact Mass 394.154209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39LsE2q0cC
Name 3,6-Dihydro-3,6-diphenyl-5-(N-phenyl-N-methylamino)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Alternate Name(s) 5-(methylanilino)-3,6-diphenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18N6O
InChI InChI=1S/C23H18N6O/c1-27(17-11-5-2-6-12-17)23-24-21-20(22(30)28(23)18-13-7-3-8-14-18)25-26-29(21)19-15-9-4-10-16-19/h2-16H,1H3
InChIKey XKGOMPATGOWSJO-UHFFFAOYSA-N
Molecular Weight 394.438 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccccc1)N(C)c1ccccc1
SPLASH splash10-0gcc-0359000000-713faa6eeb57cc055159
Source of Spectrum F4-0-2546-4
Wiley ID 1618726