Chem
J-GLOBAL ID：200907036382649189   Nikkaji number：J206.933D

Bentiuracil

ベンチウラシル
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： C11H10N2OS
Molecular formula furigana： C11-H10-N2-O-S
Molecular weight： 218.270
InChI： InChI=1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChI key： PNXBXCRWXNESOV-UHFFFAOYSA-N
SMILES： O=c1cc(Cc2ccccc2)[nH]c(=S)[nH]1
Systematic name  (8)：
  • 6-ベンジル-2-チオウラシル
  • 2,3-ジヒドロ-6-(フェニルメチル)-2-チオキソピリミジン-4(1H)-オン
  • 6-ベンジル-2(1H)-チオキソピリミジン-4(3H)-オン
  • 6-ベンジル-1,2-ジヒドロ-2-チオキソピリミジン-4(3H)-オン
  • 2-チオキソ-6-ベンジル-2,3-ジヒドロ-4(1H)-ピリミドン
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Other name (8)：
  • 2,3-Dihydro-6-(phenylmethyl)-2-thioxopyrimidin-4(1H)-one
  • 6-Benzyl-2(1H)-thioxopyrimidine-4(3H)-one
  • 6-Benzyl-1,2-dihydro-2-thioxopyrimidine-4(3H)-one
  • ベンチウラシル
  • Bentiuracil
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CAS registry number： 6336-50-1
Regulation number (1)：
  • EINECS2287176
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