Chem
J-GLOBAL ID：201707014598855050   Nikkaji number：J3.650.001H

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

1-(1-トシル-4-メチル-1H-ピロール-3-イルメチル)-3-ベンゾイルチミン
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： C25H23N3O5S
Molecular formula furigana： C25-H23-N3-O5-S
Molecular weight： 477.540
InChI： InChI=1S/C25H23N3O5S/c1-17-9-11-22(12-10-17)34(32,33)27-14-18(2)21(16-27)15-26-13-19(3)23(29)28(25(26)31)24(30)20-7-5-4-6-8-20/h4-14,16H,15H2,1-3H3
InChI key： ZOGLKYCSQUIIQW-UHFFFAOYSA-N
SMILES： Cc1cn(cc1Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 1-(1-トシル-4-メチル-1H-ピロール-3-イルメチル)-3-ベンゾイルチミン
  • 3-ベンゾイル-5-メチル-1-{[4-メチル-1-(4-メチルベンゼンスルホニル)-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-{[4-methyl-1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-(1-Tosyl-4-methyl-1H-pyrrole-3-ylmethyl)-3-benzoylthymine
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