Chem
J-GLOBAL ID：201707020231930098   Nikkaji number：J3.649.993A

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

1-トシル-3-(3-ベンゾイルチミン-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： C31H27N3O5S2
Molecular formula furigana： C31-H27-N3-O5-S2
Molecular weight： 585.690
InChI： InChI=1S/C31H27N3O5S2/c1-22-13-15-28(16-14-22)41(38,39)33-19-25(26(20-33)21-40-27-11-7-4-8-12-27)18-32-17-23(2)29(35)34(31(32)37)30(36)24-9-5-3-6-10-24/h3-17,19-20H,18,21H2,1-2H3
InChI key： CCBKDRFQARCKMO-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CSc2ccccc2)c(Cn2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)c1
Systematic name  (3)：
  • 1-トシル-3-(3-ベンゾイルチミン-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-5-メチル-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-5-methyl-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-benzoylthymine-1-ylmethyl)-4-(phenylthiomethyl)-1H-pyrrole
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