Chem
J-GLOBAL ID：200907003232645333   Nikkaji number：J1.021.052F

8,8-Dimethyl-2-methoxy-3-phenyl-4-oxo-5-[(4S)-2,2-dimethyl-1,3-dioxolane-4-yl]-3,4,7,8-tetrahydrooxepino[2,3-d]pyrimidine-6-carbonitrile

5-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2-メトキシ-8,8-ジメチル-4-オキソ-3-フェニル-3H,4H,7H,8H-オキセピノ[2,3-d]ピリミジン-6-カルボニトリル
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： C23H25N3O5
Molecular formula furigana： C23-H25-N3-O5
Molecular weight： 423.469
InChI： InChI=1S/C23H25N3O5/c1-22(2)11-14(12-24)17(16-13-29-23(3,4)30-16)18-19(31-22)25-21(28-5)26(20(18)27)15-9-7-6-8-10-15/h6-10,16H,11,13H2,1-5H3/t16-/m1/s1
InChI key： KYMQONYLRRNLHC-MRXNPFEDSA-N
SMILES： COc1nc2OC(C)(C)CC(=C([C@H]3COC(C)(C)O3)c2c(=O)n1c1ccccc1)C#N
Systematic name  (3)：
  • 8,8-ジメチル-2-メトキシ-3-フェニル-4-オキソ-5-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-3,4,7,8-テトラヒドロオキセピノ[2,3-d]ピリミジン-6-カルボニトリル
  • 5-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2-メトキシ-8,8-ジメチル-4-オキソ-3-フェニル-3H,4H,7H,8H-オキセピノ[2,3-d]ピリミジン-6-カルボニトリル
  • 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxo-3-phenyl-3H,4H,7H,8H-oxepino[2,3-d]pyrimidine-6-carbonitrile
Other name (1)：
  • 8,8-Dimethyl-2-methoxy-3-phenyl-4-oxo-5-[(4S)-2,2-dimethyl-1,3-dioxolane-4-yl]-3,4,7,8-tetrahydrooxepino[2,3-d]pyrimidine-6-carbonitrile
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