Chem
J-GLOBAL ID：201807000962208754   Nikkaji number：J3.682.077B

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

2-(メチルチオ)-4-クロロ-5-フェニル-9-エチル-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： C16H16ClN3O2S
Molecular formula furigana： C16-H16-CL-N3-O2-S
Molecular weight： 349.830
InChI： InChI=1S/C16H16ClN3O2S/c1-3-20-9-11(21)22-13(10-7-5-4-6-8-10)12-14(17)18-16(23-2)19-15(12)20/h4-8,13H,3,9H2,1-2H3
InChI key： RYIYLONTVYOARB-UHFFFAOYSA-N
SMILES： CCN1CC(=O)OC(c2ccccc2)c2c(Cl)nc(SC)nc12
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-フェニル-9-エチル-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-エチル-2-(メチルスルファニル)-5-フェニル-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-ethyl-2-(methylsulfanyl)-5-phenyl-5H,7H,8H,9H-pyrimido[4,5-e][1,4]oxazepin-7-one
Other name (1)：
  • 2-(Methylthio)-4-chloro-5-phenyl-9-ethyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
Thsaurus map：
Thesaurus Map

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