Chem
J-GLOBAL ID：200907004629054753   Nikkaji number：J1.897.399E

MSC-194

1-[2β-(2-ヒドロキシ-3-アセチル-6-メトキシフェニル)シクロプロパン-1β-イル]-3-(5-シアノピリジン-2-イル)チオ尿素
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： C19H18N4O3S
Molecular formula furigana： C19-H18-N4-O3-S
Molecular weight： 382.440
InChI： InChI=1S/C19H18N4O3S/c1-10(24)12-4-5-15(26-2)17(18(12)25)13-7-14(13)22-19(27)23-16-6-3-11(8-20)9-21-16/h3-6,9,13-14,25H,7H2,1-2H3,(H2,21,22,23,27)/t13-,14+/m0/s1
InChI key： FSRLCMRWYUJTNT-UONOGXRCSA-N
SMILES： COc1ccc(C(=O)C)c(O)c1[C@H]1C[C@H]1NC(=S)Nc1ccc(cn1)C#N
Systematic name  (3)：
  • 1-[2β-(2-ヒドロキシ-3-アセチル-6-メトキシフェニル)シクロプロパン-1β-イル]-3-(5-シアノピリジン-2-イル)チオ尿素
  • 3-[(1R,2R)-2-(3-アセチル-2-ヒドロキシ-6-メトキシフェニル)シクロプロピル]-1-(5-シアノピリジン-2-イル)チオ尿素
  • 3-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-1-(5-cyanopyridin-2-yl)thiourea
Other name (2)：
  • 1-[2β-(2-Hydroxy-3-acetyl-6-methoxyphenyl)cyclopropane-1β-yl]-3-(5-cyanopyridine-2-yl)thiourea
  • MSC-194
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