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6-Acetoamido-3-[(6-chloropyridin-3-yl)methyl]-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
SpectraBase Compound ID HrHv3vXe4DN
InChI InChI=1S/C12H11ClN8O/c1-7(22)18-21-6-16-12-10(11(21)14)17-19-20(12)5-8-2-3-9(13)15-4-8/h2-4,6,14H,5H2,1H3,(H,18,22)
InChIKey VNGFRAASOPUSEV-UHFFFAOYSA-N
Mol Weight 318.73 g/mol
Molecular Formula C12H11ClN8O
Exact Mass 318.074435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkB9Ppq3aDo
Name 6-Acetoamido-3-[(6-chloropyridin-3-yl)methyl]-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN8O
InChI InChI=1S/C12H11ClN8O/c1-7(22)18-21-6-16-12-10(11(21)14)17-19-20(12)5-8-2-3-9(13)15-4-8/h2-4,6,14H,5H2,1H3,(H,18,22)
InChIKey VNGFRAASOPUSEV-UHFFFAOYSA-N
Molecular Weight 318.728 g/mol
SMILES N=C1N(C=Nc2c1nn[n]2Cc1cnc(cc1)Cl)NC(=O)C
SPLASH splash10-004i-1592000000-354f13c8b5fa04e2bf3a
Source of Spectrum Y-45-1495-4u
Wiley ID 1666661