Chem
J-GLOBAL ID：200907077685824089
Nikkaji number：J1.188.578K
5-(4-Chlorophenyl)-4-imino-1,2,3,4,8,9-hexahydro-8,8-dimethyl-3-phenyl-2-thioxo-5H-[1]benzopyrano[2,3-d]pyrimidine-6(7H)-one
5-(4-クロロフェニル)-4-イミノ-1,2,3,4,8,9-ヘキサヒドロ-8,8-ジメチル-3-フェニル-2-チオキソ-5H-[1]ベンゾピラノ[2,3-d]ピリミジン-6(7H)-オン
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
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
Molecular formula： C25H22ClN3O2S
Molecular formula furigana： C25-H22-CL-N3-O2-S
Molecular weight： 463.980
InChI：
InChI=1S/C25H22ClN3O2S/c1-25(2)12-17(30)20-18(13-25)31-23-21(19(20)14-8-10-15(26)11-9-14)22(27)29(24(32)28-23)16-6-4-3-5-7-16/h3-11,19,27H,12-13H2,1-2H3,(H,28,32)
InChI key：
RFFYDNORERXNEE-UHFFFAOYSA-N
SMILES：
CC1(C)CC(=O)C2=C(C1)Oc1[nH]c(=S)n(c3ccccc3)c(=N)c1C2c1ccc(Cl)cc1
Systematic name (3)：
- 5-(4-クロロフェニル)-4-イミノ-1,2,3,4,8,9-ヘキサヒドロ-8,8-ジメチル-3-フェニル-2-チオキソ-5H-[1]ベンゾピラノ[2,3-d]ピリミジン-6(7H)-オン
- 5-(4-クロロフェニル)-4-イミノ-8,8-ジメチル-3-フェニル-2-スルファニリデン-1H,2H,3H,4H,5H,6H,7H,8H,9H-クロメノ[2,3-d]ピリミジン-6-オン
- 5-(4-chlorophenyl)-4-imino-8,8-dimethyl-3-phenyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H,9H-chromeno[2,3-d]pyrimidin-6-one
- 5-(4-Chlorophenyl)-4-imino-1,2,3,4,8,9-hexahydro-8,8-dimethyl-3-phenyl-2-thioxo-5H-[1]benzopyrano[2,3-d]pyrimidine-6(7H)-one
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