Chem
J-GLOBAL ID：201807016422535210   Nikkaji number：J3.682.080B

2-(Methylthio)-4-chloro-5-(4-methoxyphenyl)-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-(4-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： C16H16ClN3O3S
Molecular formula furigana： C16-H16-CL-N3-O3-S
Molecular weight： 365.830
InChI： InChI=1S/C16H16ClN3O3S/c1-20-8-11(21)23-13(9-4-6-10(22-2)7-5-9)12-14(17)18-16(24-3)19-15(12)20/h4-7,13H,8H2,1-3H3
InChI key： SKRPVXACVUJVLH-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C1OC(=O)CN(C)c2nc(SC)nc(Cl)c12
Systematic name  (3)：
  • 2-(メチルチオ)-4-クロロ-5-(4-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-(4-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-9-methyl-8,9-dihydropyrimido[4,5-e][1,4]oxazepine-7(5H)-one
Thsaurus map：
Thesaurus Map

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