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3-[(6-Chloropyridin-3-yl)methyl]-6-[(pyridin-3-yl)methyl]-6,7-dihydro-3H-1,2,3-triazolo-[4,5-d]pyrimidin-7-imine
SpectraBase Compound ID HdicJZbOB3h
InChI InChI=1S/C16H13ClN8/c17-13-4-3-12(7-20-13)9-25-16-14(22-23-25)15(18)24(10-21-16)8-11-2-1-5-19-6-11/h1-7,10,18H,8-9H2
InChIKey WQNNWIJEBCWYMN-UHFFFAOYSA-N
Mol Weight 352.79 g/mol
Molecular Formula C16H13ClN8
Exact Mass 352.09517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44cNP4pkDlx
Name 3-[(6-Chloropyridin-3-yl)methyl]-6-[(pyridin-3-yl)methyl]-6,7-dihydro-3H-1,2,3-triazolo-[4,5-d]pyrimidin-7-imine
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Formula C16H13ClN8
InChI InChI=1S/C16H13ClN8/c17-13-4-3-12(7-20-13)9-25-16-14(22-23-25)15(18)24(10-21-16)8-11-2-1-5-19-6-11/h1-7,10,18H,8-9H2
InChIKey WQNNWIJEBCWYMN-UHFFFAOYSA-N
Molecular Weight 352.789 g/mol
SMILES N=C1c2c([n](Cc3cnc(cc3)Cl)nn2)N=CN1Cc1cnccc1
SPLASH splash10-0ufr-3409000000-b7cd54e4599cab302962
Source of Spectrum Y-45-1495-4d
Synonyms 3-[(6-chloro-3-pyridinyl)methyl]-6-(3-pyridinylmethyl)-7-triazolo[4,5-d]pyrimidinimine 3-[(6-chloropyridin-3-yl)methyl]-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-imine 3-[(6-chloro-3-pyridyl)methyl]-6-(3-pyridylmethyl)triazolo[4,5-d]pyrimidin-7-imine 3-[(6-chloranylpyridin-3-yl)methyl]-6-(pyridin-3-ylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-imine
Wiley ID 1666660