Chem
J-GLOBAL ID：200907067367674960   Nikkaji number：J380.263I

3-(3,4-Dichlorobenzyl)-1,2,3,4,5,6,7,8-octahydro-2,4-dioxo[1]benzothieno[2,3-d]pyrimidine-1-acetic acid

3-(3,4-ジクロロベンジル)-1,2,3,4,5,6,7,8-オクタヒドロ-2,4-ジオキソ[1]ベンゾチエノ[2,3-d]ピリミジン-1-酢酸
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： C19H16Cl2N2O4S
Molecular formula furigana： C19-H16-CL2-N2-O4-S
Molecular weight： 439.310
InChI： InChI=1S/C19H16Cl2N2O4S/c20-12-6-5-10(7-13(12)21)8-22-17(26)16-11-3-1-2-4-14(11)28-18(16)23(19(22)27)9-15(24)25/h5-7H,1-4,8-9H2,(H,24,25)
InChI key： GHSOVBXFKZUPCA-UHFFFAOYSA-N
SMILES： OC(=O)Cn1c2sc3CCCCc3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O
Systematic name  (3)：
  • 3-(3,4-ジクロロベンジル)-1,2,3,4,5,6,7,8-オクタヒドロ-2,4-ジオキソ[1]ベンゾチエノ[2,3-d]ピリミジン-1-酢酸
  • 2-{4-[(3,4-ジクロロフェニル)メチル]-3,5-ジオキソ-8-チア-4,6-ジアザトリシクロ[7.4.0.02,7]トリデカ-1(9),2(7)-ジエン-6-イル}酢酸
  • 2-{4-[(3,4-dichlorophenyl)methyl]-3,5-dioxo-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl}acetic acid
Other name (1)：
  • 3-(3,4-Dichlorobenzyl)-1,2,3,4,5,6,7,8-octahydro-2,4-dioxo[1]benzothieno[2,3-d]pyrimidine-1-acetic acid
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