Chem
J-GLOBAL ID：200907017315598710   Nikkaji number：J528.740E

1-(4-Bromophenyl)-5-hydroxy-6-bromo-2-[[(5-ethoxycarbonyl-4-oxo-3,4-dihydropyrimidin)-2-yl]thiomethyl]-1H-indole-3-carboxylic acid ethyl ester

1-(4-ブロモフェニル)-5-ヒドロキシ-6-ブロモ-2-[[(5-エトキシカルボニル-4-オキソ-3,4-ジヒドロピリミジン)-2-イル]チオメチル]-1H-インドール-3-カルボン酸エチル
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： C25H21Br2N3O6S
Molecular formula furigana： C25-H21-BR2-N3-O6-S
Molecular weight： 651.330
InChI： InChI=1S/C25H21Br2N3O6S/c1-3-35-23(33)16-11-28-25(29-22(16)32)37-12-19-21(24(34)36-4-2)15-9-20(31)17(27)10-18(15)30(19)14-7-5-13(26)6-8-14/h5-11,31H,3-4,12H2,1-2H3,(H,28,29,32)
InChI key： PIHPCYIJVDJSBA-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c(CSc2ncc(C(=O)OCC)c(=O)[nH]2)n(c2ccc(Br)cc2)c2cc(Br)c(O)cc12
Systematic name  (3)：
  • 1-(4-ブロモフェニル)-5-ヒドロキシ-6-ブロモ-2-[[(5-エトキシカルボニル-4-オキソ-3,4-ジヒドロピリミジン)-2-イル]チオメチル]-1H-インドール-3-カルボン酸エチル
  • エチル 6-ブロモ-1-(4-ブロモフェニル)-2-({[5-(エトキシカルボニル)-6-オキソ-1,6-ジヒドロピリミジン-2-イル]スルファニル}メチル)-5-ヒドロキシ-1H-インドール-3-カルボキシラート
  • ethyl 6-bromo-1-(4-bromophenyl)-2-({[5-(ethoxycarbonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-5-hydroxy-1H-indole-3-carboxylate
Other name (1)：
  • 1-(4-Bromophenyl)-5-hydroxy-6-bromo-2-[[(5-ethoxycarbonyl-4-oxo-3,4-dihydropyrimidin)-2-yl]thiomethyl]-1H-indole-3-carboxylic acid ethyl ester
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