Chem
J-GLOBAL ID：201407084616691065   Nikkaji number：J3.309.876F

1-(3-Chlorophenyl)-3-ethyl-4-thioxo-5-methoxy-7-methylthio-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one

1-(3-クロロフェニル)-3-エチル-4-チオキソ-5-メトキシ-7-メチルチオ-3,4-ジヒドロピリミド[4,5-d]ピリミジン-2(1H)-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： C16H15ClN4O2S2
Molecular formula furigana： C16-H15-CL-N4-O2-S2
Molecular weight： 394.890
InChI： InChI=1S/C16H15ClN4O2S2/c1-4-20-14(24)11-12(18-15(25-3)19-13(11)23-2)21(16(20)22)10-7-5-6-9(17)8-10/h5-8H,4H2,1-3H3
InChI key： RBAPWNGZHODDCI-UHFFFAOYSA-N
SMILES： CCn1c(=O)n(c2cccc(Cl)c2)c2nc(SC)nc(OC)c2c1=S
Systematic name  (3)：
  • 1-(3-クロロフェニル)-3-エチル-4-チオキソ-5-メトキシ-7-メチルチオ-3,4-ジヒドロピリミド[4,5-d]ピリミジン-2(1H)-オン
  • 1-(3-クロロフェニル)-3-エチル-5-メトキシ-7-(メチルスルファニル)-4-スルファニリデン-1H,2H,3H,4H-[1,3]ジアジノ[4,5-d]ピリミジン-2-オン
  • 1-(3-chlorophenyl)-3-ethyl-5-methoxy-7-(methylsulfanyl)-4-sulfanylidene-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
Other name (1)：
  • 1-(3-Chlorophenyl)-3-ethyl-4-thioxo-5-methoxy-7-methylthio-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
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