Chem
J-GLOBAL ID：200907001337054419   Nikkaji number：J1.872.118J

1-[5-[4,6-Bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidine-2-yl]pentyl]-6-(methylthio)-4-(pyrrolidine-1-yl)-1H-pyrazolo[3,4-d]pyrimidine

1-[5-[4,6-ビス(メチルチオ)-2H-ピラゾロ[3,4-d]ピリミジン-2-イル]ペンチル]-6-(メチルチオ)-4-(ピロリジン-1-イル)-1H-ピラゾロ[3,4-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： C22H29N9S3
Molecular formula furigana： C22-H29-N9-S3
Molecular weight： 515.720
InChI： InChI=1S/C22H29N9S3/c1-32-20-16-14-30(28-17(16)24-21(27-20)33-2)11-5-4-6-12-31-19-15(13-23-31)18(25-22(26-19)34-3)29-9-7-8-10-29/h13-14H,4-12H2,1-3H3
InChI key： XWONPVAPKWCSGP-UHFFFAOYSA-N
SMILES： CSc1nc(SC)c2cn(CCCCCn3ncc4c(nc(SC)nc34)N3CCCC3)nc2n1
Systematic name  (3)：
  • 1-[5-[4,6-ビス(メチルチオ)-2H-ピラゾロ[3,4-d]ピリミジン-2-イル]ペンチル]-6-(メチルチオ)-4-(ピロリジン-1-イル)-1H-ピラゾロ[3,4-d]ピリミジン
  • 1-(1-{5-[4,6-ビス(メチルスルファニル)-2H-ピラゾロ[3,4-d]ピリミジン-2-イル]ペンチル}-6-(メチルスルファニル)-1H-ピラゾロ[3,4-d]ピリミジン-4-イル)ピロリジン
  • 1-(1-{5-[4,6-bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-2-yl]pentyl}-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine
Other name (1)：
  • 1-[5-[4,6-Bis(methylthio)-2H-pyrazolo[3,4-d]pyrimidine-2-yl]pentyl]-6-(methylthio)-4-(pyrrolidine-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
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