Chem
J-GLOBAL ID：200907092208453361   Nikkaji number：J2.708.904F

CTV-6883

1-プロピル-3-エチル-8-[1-[3-(トリフルオロメチル)ベンジル]-1H-ピラゾール-4-イル]-1,2,3,6-テトラヒドロ-9H-プリン-2,6-ジオン
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： C21H21F3N6O2
Molecular formula furigana： C21-H21-F3-N6-O2
Molecular weight： 446.434
InChI： InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
InChI key： KOYXXLLNCXWUNF-UHFFFAOYSA-N
SMILES： CCCn1c(=O)n(CC)c2[nH]c(nc2c1=O)c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Systematic name  (3)：
  • 1-プロピル-3-エチル-8-[1-[3-(トリフルオロメチル)ベンジル]-1H-ピラゾール-4-イル]-1,2,3,6-テトラヒドロ-9H-プリン-2,6-ジオン
  • 3-エチル-1-プロピル-8-(1-{[3-(トリフルオロメチル)フェニル]メチル}-1H-ピラゾール-4-イル)-2,3,6,9-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione
Other name (2)：
  • 1-Propyl-3-ethyl-8-[1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-yl]-1,2,3,6-tetrahydro-9H-purine-2,6-dione
  • CTV-6883
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