Chem
J-GLOBAL ID：201807011703126016   Nikkaji number：J3.682.083G

2-(Methylthio)-4-chloro-5-(3,4-dimethoxyphenyl)-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-(3,4-ジメトキシフェニル)-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： C17H18ClN3O4S
Molecular formula furigana： C17-H18-CL-N3-O4-S
Molecular weight： 395.860
InChI： InChI=1S/C17H18ClN3O4S/c1-21-8-12(22)25-14(9-5-6-10(23-2)11(7-9)24-3)13-15(18)19-17(26-4)20-16(13)21/h5-7,14H,8H2,1-4H3
InChI key： PADONTMTVGKNCF-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C1OC(=O)CN(C)c2nc(SC)nc(Cl)c12
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-(3,4-ジメトキシフェニル)-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-5-(3,4-ジメトキシフェニル)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-9-methyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
Thsaurus map：
Thesaurus Map

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