Chem
J-GLOBAL ID：200907072077428500   Nikkaji number：J1.206.266D

1-[[3-(4-Cyano-4-phenylpiperidino)propyl]carbamoyl]-2-oxo-4-(methoxymethyl)-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester

1-[[3-(4-シアノ-4-フェニルピペリジノ)プロピル]カルバモイル]-2-オキソ-4-(メトキシメチル)-6-(3,4-ジフルオロフェニル)-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸メチル
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： C30H33F2N5O5
Molecular formula furigana： C30-H33-F2-N5-O5
Molecular weight： 581.621
InChI： InChI=1S/C30H33F2N5O5/c1-41-18-24-25(27(38)42-2)26(20-9-10-22(31)23(32)17-20)37(29(40)35-24)28(39)34-13-6-14-36-15-11-30(19-33,12-16-36)21-7-4-3-5-8-21/h3-5,7-10,17,26H,6,11-16,18H2,1-2H3,(H,34,39)(H,35,40)
InChI key： JXDBPRQKWGFDFQ-UHFFFAOYSA-N
SMILES： COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Systematic name  (3)：
  • 1-[[3-(4-シアノ-4-フェニルピペリジノ)プロピル]カルバモイル]-2-オキソ-4-(メトキシメチル)-6-(3,4-ジフルオロフェニル)-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸メチル
  • メチル 3-{[3-(4-シアノ-4-フェニルピペリジン-1-イル)プロピル]カルバモイル}-4-(3,4-ジフルオロフェニル)-6-(メトキシメチル)-2-オキソ-1,2,3,4-テトラヒドロピリミジン-5-カルボキシラート
  • methyl 3-{[3-(4-cyano-4-phenylpiperidin-1-yl)propyl]carbamoyl}-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1)：
  • 1-[[3-(4-Cyano-4-phenylpiperidino)propyl]carbamoyl]-2-oxo-4-(methoxymethyl)-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid methyl ester
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