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3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
SpectraBase Compound ID 1PmjzoL5Vel
InChI InChI=1S/C19H16FN5O2/c1-12-21-18-17(19(22-12)27-16-9-7-15(26-2)8-10-16)23-24-25(18)11-13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3
InChIKey HEQMQXCBJYIMAO-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C19H16FN5O2
Exact Mass 365.128803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CNDN14wkUM
Name 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16FN5O2
InChI InChI=1S/C19H16FN5O2/c1-12-21-18-17(19(22-12)27-16-9-7-15(26-2)8-10-16)23-24-25(18)11-13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3
InChIKey HEQMQXCBJYIMAO-UHFFFAOYSA-N
Molecular Weight 365.368 g/mol
SMILES c12[n](nnc2c(nc(n1)C)Oc1ccc(cc1)OC)Cc1ccc(F)cc1
SPLASH splash10-0a4i-6915000000-9382e3580387211e92f1
Source of Spectrum IY-2-4954-5
Synonyms 3H-[1,2,3]Triazolo[4,5-d]pyrimidine, 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl- 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyltriazolo[4,5-d]pyrimidine 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl-triazolo[4,5-d]pyrimidine 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidine
Wiley ID 1657528