Chem
J-GLOBAL ID：201807003006020983   Nikkaji number：J3.682.082I

2-(Methylthio)-4-chloro-5-(4-methoxyphenyl)-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-(4-メトキシフェニル)-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： C17H18ClN3O3S
Molecular formula furigana： C17-H18-CL-N3-O3-S
Molecular weight： 379.860
InChI： InChI=1S/C17H18ClN3O3S/c1-4-21-9-12(22)24-14(10-5-7-11(23-2)8-6-10)13-15(18)19-17(25-3)20-16(13)21/h5-8,14H,4,9H2,1-3H3
InChI key： NDEQSNOQDKSBPD-UHFFFAOYSA-N
SMILES： CCN1CC(=O)OC(c2ccc(OC)cc2)c2c(Cl)nc(SC)nc12
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-(4-メトキシフェニル)-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-5-(4-メトキシフェニル)-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-9-ethyl-5-(4-methoxyphenyl)-2-(methylsulfanyl)-5H,7H,8H,9H-pyrimido[4,5-e][1,4]oxazepin-7-one
Other name (1)：
  • 2-(Methylthio)-4-chloro-5-(4-methoxyphenyl)-9-ethyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
Thsaurus map：
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