Chem
J-GLOBAL ID：200907012581530020   Nikkaji number：J2.312.304E

NK-2935

4-[3-メチル-5-オキソ-4-[5-[(6-ヒドロキシ-2,4-ジオキソ-1,3-ジブチル-1,2,3,4-テトラヒドロピリミジン)-5-イル]-2,4-ペンタジエニリデン]-1H-ピラゾール-1-イル]ベンゼンスルホン酸ナトリウム
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： C27H31N4NaO7S
Molecular formula furigana： C27-H31-N4-NA-O7-S
Molecular weight： 578.620
InChI： InChI=1S/C27H32N4O7S.Na/c1-4-6-17-29-24(32)23(25(33)30(27(29)35)18-7-5-2)12-10-8-9-11-22-19(3)28-31(26(22)34)20-13-15-21(16-14-20)39(36,37)38;/h8-16,32H,4-7,17-18H2,1-3H3,(H,36,37,38);/q;+1/p-1
InChI key： VIGKJJYDEJESCK-UHFFFAOYSA-M
SMILES： CCCCn1c(O)c(C=CC=CC=C2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O[Na])C)c(=O)n(CCCC)c1=O
Systematic name  (3)：
  • 4-[3-メチル-5-オキソ-4-[5-[(6-ヒドロキシ-2,4-ジオキソ-1,3-ジブチル-1,2,3,4-テトラヒドロピリミジン)-5-イル]-2,4-ペンタジエニリデン]-1H-ピラゾール-1-イル]ベンゼンスルホン酸ナトリウム
  • ナトリウム 4-{4-[5-(1,3-ジブチル-6-ヒドロキシ-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル)ペンタ-2,4-ジエン-1-イリデン]-3-メチル-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-1-イル}ベンゼン-1-スルホナート
  • sodium 4-{4-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate
Other name (2)：
  • 4-[3-Methyl-5-oxo-4-[5-[(6-hydroxy-2,4-dioxo-1,3-dibutyl-1,2,3,4-tetrahydropyrimidine)-5-yl]-2,4-pentadienylidene]-1H-pyrazole-1-yl]benzenesulfonic acid sodium salt
  • NK-2935
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