For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3H-[1,2,3]Triazolo[4,5-d]pyrimidine-5-carboxamide, N-cycloheptyl-3-[(4-fluorophenyl)methyl]-7-hydroxy-
SpectraBase Compound ID BbgtcaWpnFA
InChI InChI=1S/C19H21FN6O2/c20-13-9-7-12(8-10-13)11-26-17-15(24-25-26)18(27)23-16(22-17)19(28)21-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,21,28)(H,22,23,27)
InChIKey HDWWENNABSFYOT-UHFFFAOYSA-N
Mol Weight 384.42 g/mol
Molecular Formula C19H21FN6O2
Exact Mass 384.171002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JeoHDQTYSjE
Name 3H-[1,2,3]Triazolo[4,5-d]pyrimidine-5-carboxamide, N-cycloheptyl-3-[(4-fluorophenyl)methyl]-7-hydroxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21FN6O2
InChI InChI=1S/C19H21FN6O2/c20-13-9-7-12(8-10-13)11-26-17-15(24-25-26)18(27)23-16(22-17)19(28)21-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,21,28)(H,22,23,27)
InChIKey HDWWENNABSFYOT-UHFFFAOYSA-N
Molecular Weight 384.415 g/mol
SMILES Oc1c2nn[n](c2nc(C(NC2CCCCCC2)=O)n1)Cc1ccc(F)cc1
SPLASH splash10-0a4i-9720000000-672d286eac3adc2227fb
Source of Spectrum IY-2-5068-5
Synonyms N-cycloheptyl-3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
Wiley ID 1658668