Chem
J-GLOBAL ID：201707016125560012   Nikkaji number：J3.603.126C

N-(3-Methoxy-4-fluorobenzyl)-2-methyl-6-[2-[[(2S)-5α-(hydroxymethyl)-1,4-dioxane-2β-yl]methyl]-2H-tetrazole-5-yl]pyrimidine-4-carboxamide

N-(3-メトキシ-4-フルオロベンジル)-2-メチル-6-[2-[[(2S)-5α-(ヒドロキシメチル)-1,4-ジオキサン-2β-イル]メチル]-2H-テトラゾール-5-イル]ピリミジン-4-カルボアミド
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： C21H24FN7O5
Molecular formula furigana： C21-H24-F-N7-O5
Molecular weight： 473.465
InChI： InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1
InChI key： SKEAGJWUKCNICJ-LSDHHAIUSA-N
SMILES： COc1cc(CNC(=O)c2cc(nc(C)n2)c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)ccc1F
Systematic name  (3)：
  • N-(3-メトキシ-4-フルオロベンジル)-2-メチル-6-[2-[[(2S)-5α-(ヒドロキシメチル)-1,4-ジオキサン-2β-イル]メチル]-2H-テトラゾール-5-イル]ピリミジン-4-カルボアミド
  • N-[(4-フルオロ-3-メトキシフェニル)メチル]-6-(2-{[(2S,5R)-5-(ヒドロキシメチル)-1,4-ジオキサン-2-イル]メチル}-2H-1,2,3,4-テトラゾール-5-イル)-2-メチルピリミジン-4-カルボキサミド
  • N-[(4-fluoro-3-methoxyphenyl)methyl]-6-(2-{[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl}-2H-1,2,3,4-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide
Other name (1)：
  • N-(3-Methoxy-4-fluorobenzyl)-2-methyl-6-[2-[[(2S)-5α-(hydroxymethyl)-1,4-dioxane-2β-yl]methyl]-2H-tetrazole-5-yl]pyrimidine-4-carboxamide
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