Chem
J-GLOBAL ID：200907057819305732   Nikkaji number：J326.611G

Ro-19-4603

Ro-19-4603
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： C15H17N3O3S
Molecular formula furigana： C15-H17-N3-O3-S
Molecular weight： 319.380
InChI： InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
InChI key： ZIGMMUKDYCABPW-UHFFFAOYSA-N
SMILES： CN1Cc2c(ncn2c2ccsc2C1=O)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 5,6-ジヒドロ-5-メチル-6-オキソ-4H-イミダゾ[1,5-a]チエノ[2,3-f][1,4]ジアゼピン-3-カルボン酸1,1-ジメチルエチル
  • tert-ブチル 8-メチル-7-オキソ-5-チア-1,8,12-トリアザトリシクロ[8.3.0.02,6]トリデカ-2(6),3,10,12-テトラエン-11-カルボキシラート
  • tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylate
Other name (3)：
  • Ro-19-4603
  • 5,6-Dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylic acid 1,1-dimethylethyl ester
  • Ro 19-4603
CAS registry number： 99632-94-7
KEGG COMPOUND： C13716
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