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3H-[1,2,3]Triazolo[4,5-d]pyrimidine, 7-(hexahydro-1H-azepin-1-yl)-3-(1-naphthalenylmethyl)-
SpectraBase Compound ID 5tNMFmdnF9a
InChI InChI=1S/C21H22N6/c1-2-6-13-26(12-5-1)20-19-21(23-15-22-20)27(25-24-19)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,15H,1-2,5-6,12-14H2
InChIKey MWSHHKTZEHFEDJ-UHFFFAOYSA-N
Mol Weight 358.45 g/mol
Molecular Formula C21H22N6
Exact Mass 358.190595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wHBmZcBQfr
Name 3H-[1,2,3]Triazolo[4,5-d]pyrimidine, 7-(hexahydro-1H-azepin-1-yl)-3-(1-naphthalenylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N6
InChI InChI=1S/C21H22N6/c1-2-6-13-26(12-5-1)20-19-21(23-15-22-20)27(25-24-19)14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,15H,1-2,5-6,12-14H2
InChIKey MWSHHKTZEHFEDJ-UHFFFAOYSA-N
Molecular Weight 358.449 g/mol
SMILES c12ncnc(c2nn[n]1Cc1c2c(ccc1)cccc2)N1CCCCCC1
SPLASH splash10-0006-2932000000-e21afe8bea923fa14b17
Synonyms 7-(1-azepanyl)-3-(1-naphthalenylmethyl)triazolo[4,5-d]pyrimidine 7-(azepan-1-yl)-3-(1-naphthylmethyl)triazolo[4,5-d]pyrimidine 7-(azepan-1-yl)-3-(naphthalen-1-ylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidine 7-(azepan-1-yl)-3-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidine
Wiley ID 1448456