Chem
J-GLOBAL ID：200907034195263827
Nikkaji number：J2.768.774A
4′-Ethynyl-4′-O,4′-O-difluoro-4′-O-carba-2′,3′-didehydro-3′-deoxythymidine
4′-エチニル-4′-O,4′-O-ジフルオロ-4′-O-カルバ-2′,3′-ジデヒドロ-3′-デオキシチミジン
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
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
Molecular formula： C13H12F2N2O3
Molecular formula furigana： C13-H12-F2-N2-O3
Molecular weight： 282.247
InChI：
InChI=1S/C13H12F2N2O3/c1-3-12(7-18)5-4-9(13(12,14)15)17-6-8(2)10(19)16-11(17)20/h1,4-6,9,18H,7H2,2H3,(H,16,19,20)/t9-,12-/m0/s1
InChI key：
NVLBKFCZZFQQHR-CABZTGNLSA-N
SMILES：
Cc1cn([C@H]2C=C[C@](CO)(C#C)C2(F)F)c(=O)[nH]c1=O
Systematic name (3)：
- 4′-エチニル-4′-O,4′-O-ジフルオロ-4′-O-カルバ-2′,3′-ジデヒドロ-3′-デオキシチミジン
- 1-[(1S,4R)-4-エチニル-5,5-ジフルオロ-4-(ヒドロキシメチル)シクロペンタ-2-エン-1-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
- 1-[(1S,4R)-4-ethynyl-5,5-difluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- 4′-Ethynyl-4′-O,4′-O-difluoro-4′-O-carba-2′,3′-didehydro-3′-deoxythymidine
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