Chem
J-GLOBAL ID：200907033186921106   Nikkaji number：J1.657.241A

(2R)-2-(Isonicotinoylamino)-2-(5-fluorouracil-1-yl)acetic acid

(2R)-2-(イソニコチノイルアミノ)-2-(5-フルオロウラシル-1-イル)酢酸
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： C12H9FN4O5
Molecular formula furigana： C12-H9-F-N4-O5
Molecular weight： 308.225
InChI： InChI=1S/C12H9FN4O5/c13-7-5-17(12(22)16-10(7)19)8(11(20)21)15-9(18)6-1-3-14-4-2-6/h1-5,8H,(H,15,18)(H,20,21)(H,16,19,22)/t8-/m1/s1
InChI key： TYLLPFZJTQITAB-MRVPVSSYSA-N
SMILES： OC(=O)[C@H](NC(=O)c1ccncc1)n1cc(F)c(=O)[nH]c1=O
Systematic name  (3)：
  • (2R)-2-(イソニコチノイルアミノ)-2-(5-フルオロウラシル-1-イル)酢酸
  • (2R)-2-(5-フルオロ-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2-[(ピリジン-4-イル)ホルムアミド]酢酸
  • (2R)-2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(pyridin-4-yl)formamido]acetic acid
Other name (1)：
  • (2R)-2-(Isonicotinoylamino)-2-(5-fluorouracil-1-yl)acetic acid
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