Chem
J-GLOBAL ID：201807010331021500   Nikkaji number：J3.682.085C

2-(Methylthio)-4-chloro-5-ethyl-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-エチル-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： C11H14ClN3O2S
Molecular formula furigana： C11-H14-CL-N3-O2-S
Molecular weight： 287.760
InChI： InChI=1S/C11H14ClN3O2S/c1-4-6-8-9(12)13-11(18-3)14-10(8)15(2)5-7(16)17-6/h6H,4-5H2,1-3H3
InChI key： IKXVMCPNCQIGQK-UHFFFAOYSA-N
SMILES： CCC1OC(=O)CN(C)c2nc(SC)nc(Cl)c12
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-エチル-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-5-エチル-9-メチル-2-(メチルスルファニル)-5H,7H,8H,9H-ピリミド[4,5-e][1,4]オキサゼピン-7-オン
  • 4-chloro-5-ethyl-9-methyl-2-(methylsulfanyl)-5H,7H,8H,9H-pyrimido[4,5-e][1,4]oxazepin-7-one
Other name (1)：
  • 2-(Methylthio)-4-chloro-5-ethyl-9-methyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
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