Chem
J-GLOBAL ID：201507005857277155   Nikkaji number：J3.452.238C

TAK-733

3-[(R)-2,3-ジヒドロキシプロピル]-6-フルオロ-5-[(2-フルオロ-4-ヨードフェニル)アミノ]-8-メチルピリド[2,3-d]ピリミジン-4,7(3H,8H)-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： C17H15F2IN4O4
Molecular formula furigana： C17-H15-F2-I-N4-O4
Molecular weight： 504.232
InChI： InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
InChI key： RCLQNICOARASSR-SECBINFHSA-N
SMILES： Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Systematic name  (3)：
  • 3-[(R)-2,3-ジヒドロキシプロピル]-6-フルオロ-5-[(2-フルオロ-4-ヨードフェニル)アミノ]-8-メチルピリド[2,3-d]ピリミジン-4,7(3H,8H)-ジオン
  • 3-[(2R)-2,3-ジヒドロキシプロピル]-6-フルオロ-5-[(2-フルオロ-4-ヨードフェニル)アミノ]-8-メチル-3H,4H,7H,8H-ピリド[2,3-d]ピリミジン-4,7-ジオン
  • 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl-3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
Other name (2)：
  • 3-[(R)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
  • TAK-733
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