Chem
J-GLOBAL ID：201407067245792368   Nikkaji number：J3.309.881B

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

1-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： C18H20N4O2S2
Molecular formula furigana： C18-H20-N4-O2-S2
Molecular weight： 388.500
InChI： InChI=1S/C18H20N4O2S2/c1-4-5-11-21-16(25)13-14(19-17(26-3)20-15(13)24-2)22(18(21)23)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChI key： LJGQDGACTINXHA-UHFFFAOYSA-N
SMILES： CCCCn1c(=O)n(c2ccccc2)c2nc(SC)nc(OC)c2c1=S
Systematic name  (3)：
  • 1-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-5-メトキシ-7-(メチルスルファニル)-1-フェニル-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-5-methoxy-7-(methylsulfanyl)-1-phenyl-4-sulfanylidene-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
Other name (1)：
  • 1-Phenyl-3-butyl-4-thioxo-5-methoxy-7-methylthio-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
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