Chem
J-GLOBAL ID：201807014510131925   Nikkaji number：J3.682.084E

2-(Methylthio)-4-chloro-5-(3-thienyl)-9-methyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one

2-(メチルチオ)-4-クロロ-5-(3-チエニル)-9-メチル-8,9-ジヒドロピリミド[4,5-e][1,4]オキサゼピン-7(5H)-オン
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： C13H12ClN3O2S2
Molecular formula furigana： C13-H12-CL-N3-O2-S2
Molecular weight： 341.830
InChI： InChI=1S/C13H12ClN3O2S2/c1-17-5-8(18)19-10(7-3-4-21-6-7)9-11(14)15-13(20-2)16-12(9)17/h3-4,6,10H,5H2,1-2H3
InChI key： LVDLQEWRAGMEMF-UHFFFAOYSA-N
SMILES： CSc1nc(Cl)c2C(OC(=O)CN(C)c2n1)c1ccsc1
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-(3-チエニル)-9-メチル-8,9-ジヒドロピリミド[4,5-e][1,4]オキサゼピン-7(5H)-オン
  • 4-クロロ-9-メチル-2-(メチルスルファニル)-5-(チオフェン-3-イル)-5H,7H,8H,9H-ピリミド[4,5-e][1,4]オキサゼピン-7-オン
  • 4-chloro-9-methyl-2-(methylsulfanyl)-5-(thiophen-3-yl)-5H,7H,8H,9H-pyrimido[4,5-e][1,4]oxazepin-7-one
Other name (1)：
  • 2-(Methylthio)-4-chloro-5-(3-thienyl)-9-methyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
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