Chem
J-GLOBAL ID:200907050139244459   Nikkaji number:J310.875I

4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid

3-({4-[(4,6-ジメチルピリミジン-2-イル)スルファモイル]フェニル}カルバモイル)プロパン酸
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: C16H18N4O5S
Molecular formula furigana: C16-H18-N4-O5-S
Molecular weight: 378.400
InChI: InChI=1S/C16H18N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)
InChI key: IBPVENLZDNUDHD-UHFFFAOYSA-N
SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)n1
Systematic name  (3):
  • 4-[[4-[[(4,6-ジメチル-2-ピリミジニル)アミノ]スルホニル]フェニル]アミノ]-4-オキソブタン酸
  • 3-({4-[(4,6-ジメチルピリミジン-2-イル)スルファモイル]フェニル}カルバモイル)プロパン酸
  • 3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)propanoic acid
Other name (1):
  • 4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid
CAS registry number: 85828-79-1
Regulation number (1):
  • EINECS2886063
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