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3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(N-methyl-N-phenylamino)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one

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3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(N-methyl-N-phenylamino)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID CUOzKQpW8ky
InChI InChI=1S/C23H17ClN6O/c1-28(17-8-4-2-5-9-17)23-25-21-20(22(31)29(23)18-10-6-3-7-11-18)26-27-30(21)19-14-12-16(24)13-15-19/h2-15H,1H3
InChIKey SQDZTWBPWKJGGE-UHFFFAOYSA-N
Mol Weight 428.88 g/mol
Molecular Formula C23H17ClN6O
Exact Mass 428.115237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2w8dfLfh0i
Name 3,6-Dihydro-3-(4-chlorophenyl)-6-phenyl-5-(N-methyl-N-phenylamino)-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.115236890 u
Formula C23H17ClN6O
InChI InChI=1S/C23H17ClN6O/c1-28(17-8-4-2-5-9-17)23-25-21-20(22(31)29(23)18-10-6-3-7-11-18)26-27-30(21)19-14-12-16(24)13-15-19/h2-15H,1H3
InChIKey SQDZTWBPWKJGGE-UHFFFAOYSA-N
Molecular Weight 428.883 g/mol
SMILES C1(=NC2=C(C(N1C=1C=CC=CC1)=O)N=NN2C=1C=CC(=CC1)Cl)N(C=1C=CC=CC1)C