Chem
J-GLOBAL ID：200907060406201751   Nikkaji number：J2.721.713C

1-Octyl-5-[[4-bromo-3,5-bis[(dimethylamino)methyl]phenyl]ethynyl]pyrimidine-2,4(1H,3H)-dione

1-オクチル-5-[[4-ブロモ-3,5-ビス[(ジメチルアミノ)メチル]フェニル]エチニル]ピリミジン-2,4(1H,3H)-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： C26H37BrN4O2
Molecular formula furigana： C26-H37-BR-N4-O2
Molecular weight： 517.511
InChI： InChI=1S/C26H37BrN4O2/c1-6-7-8-9-10-11-14-31-19-21(25(32)28-26(31)33)13-12-20-15-22(17-29(2)3)24(27)23(16-20)18-30(4)5/h15-16,19H,6-11,14,17-18H2,1-5H3,(H,28,32,33)
InChI key： QAEZUBPTDIHTNX-UHFFFAOYSA-N
SMILES： CCCCCCCCn1cc(C#Cc2cc(CN(C)C)c(Br)c(CN(C)C)c2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 1-オクチル-5-[[4-ブロモ-3,5-ビス[(ジメチルアミノ)メチル]フェニル]エチニル]ピリミジン-2,4(1H,3H)-ジオン
  • 1-オクチル-5-[3,5-ビス(ジメチルアミノメチル)-4-ブロモフェニルエチニル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-(2-{4-ブロモ-3,5-ビス[(ジメチルアミノ)メチル]フェニル}エチニル)-1-オクチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-(2-{4-bromo-3,5-bis[(dimethylamino)methyl]phenyl}ethynyl)-1-octyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (2)：
  • 1-Octyl-5-[[4-bromo-3,5-bis[(dimethylamino)methyl]phenyl]ethynyl]pyrimidine-2,4(1H,3H)-dione
  • 1-Octyl-5-[3,5-bis(dimethylaminomethyl)-4-bromophenylethynyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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