Chem
J-GLOBAL ID：201407043201835179   Nikkaji number：J3.309.882K

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

1-(3,5-ジメチルフェニル)-3-ブチル-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： C20H24N4O2S2
Molecular formula furigana： C20-H24-N4-O2-S2
Molecular weight： 416.560
InChI： InChI=1S/C20H24N4O2S2/c1-6-7-8-23-18(27)15-16(21-19(28-5)22-17(15)26-4)24(20(23)25)14-10-12(2)9-13(3)11-14/h9-11H,6-8H2,1-5H3
InChI key： OEJIUTJKMYWHMX-UHFFFAOYSA-N
SMILES： CCCCn1c(=O)n(c2cc(C)cc(C)c2)c2nc(SC)nc(OC)c2c1=S
Systematic name  (3)：
  • 1-(3,5-ジメチルフェニル)-3-ブチル-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
  • 3-ブチル-1-(3,5-ジメチルフェニル)-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
  • 3-butyl-1-(3,5-dimethylphenyl)-5-methoxy-7-(methylsulfanyl)-4-sulfanylidene-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
Other name (1)：
  • 1-(3,5-Dimethylphenyl)-3-butyl-4-thioxo-5-methoxy-7-methylthio-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
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