Chem
J-GLOBAL ID：201107075954675066   Nikkaji number：J2.989.174E

VAS-2870

3-ベンジル-7-(2-ベンゾオキサゾリルチオ)-3H-1,2,3-トリアゾロ[4,5-d]ピリミジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H12N6OS
Molecular formula furigana： C18-H12-N6-O-S
Molecular weight： 360.400
InChI： InChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2
InChI key： HZSOKHVVANONPV-UHFFFAOYSA-N
SMILES： C(c1ccccc1)n1nnc2c(Sc3nc4ccccc4o3)ncnc12
Systematic name  (3)：
  • 3-ベンジル-7-(2-ベンゾオキサゾリルチオ)-3H-1,2,3-トリアゾロ[4,5-d]ピリミジン
  • 2-({3-ベンジル-3H-[1,2,3]トリアゾロ[4,5-d]ピリミジン-7-イル}スルファニル)-1,3-ベンゾオキサゾール
  • 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1,3-benzoxazole
Other name (2)：
  • 3-Benzyl-7-(2-benzoxazolylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidine
  • VAS-2870
CAS registry number： 722456-31-7
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