Chem
J-GLOBAL ID：201707001805977638   Nikkaji number：J3.649.996F

1-Tosyl-3-(3-benzoyluracil-1-ylmethyl)-4-(phenylthiomethyl)-1H-pyrrole

1-トシル-3-(3-ベンゾイルウラシル-1-イルメチル)-4-(フェニルチオメチル)-1H-ピロール
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： C30H25N3O5S2
Molecular formula furigana： C30-H25-N3-O5-S2
Molecular weight： 571.670
InChI： InChI=1S/C30H25N3O5S2/c1-22-12-14-27(15-13-22)40(37,38)32-19-24(25(20-32)21-39-26-10-6-3-7-11-26)18-31-17-16-28(34)33(30(31)36)29(35)23-8-4-2-5-9-23/h2-17,19-20H,18,21H2,1H3
InChI key： AVARJIMBCKVTFI-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2ccc(=O)n(C(=O)c3ccccc3)c2=O)c1
Systematic name  (3)：
  • 1-トシル-3-(3-ベンゾイルウラシル-1-イルメチル)-4-(フェニルチオメチル)-1H-ピロール
  • 3-ベンゾイル-1-{[1-(4-メチルベンゼンスルホニル)-4-[(フェニルスルファニル)メチル]-1H-ピロール-3-イル]メチル}-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 3-benzoyl-1-{[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-Tosyl-3-(3-benzoyluracil-1-ylmethyl)-4-(phenylthiomethyl)-1H-pyrrole
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