Chem
J-GLOBAL ID：201207073695871042   Nikkaji number：J3.119.222F

1-[3-[4-[3-(Acetylamino)phenyl]piperidino]propylcarbamoyl]-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid (11C)methyl ester

1-[3-[4-[3-(アセチルアミノ)フェニル]ピペリジノ]プロピルカルバモイル]-6-(3,4-ジフルオロフェニル)-4-(メトキシメチル)-2-オキソ-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸(11C)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： C30[11C]H37F2N5O6
Molecular formula furigana： C31-H37-F2-N5-O6
Molecular weight： 612.663
InChI： InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/i3-1
InChI key： FWMHZWMPUWAUPL-KTXUZGJCSA-N
SMILES： COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(=O)C)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)O[11CH3]
Systematic name  (3)：
  • 1-[3-[4-[3-(アセチルアミノ)フェニル]ピペリジノ]プロピルカルバモイル]-6-(3,4-ジフルオロフェニル)-4-(メトキシメチル)-2-オキソ-1,2,3,6-テトラヒドロピリミジン-5-カルボン酸(11C)メチル
  • (11C)メチル 4-(3,4-ジフルオロフェニル)-3-({3-[4-(3-アセトアミドフェニル)ピペリジン-1-イル]プロピル}カルバモイル)-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
  • (11C)methyl 4-(3,4-difluorophenyl)-3-({3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl}carbamoyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1)：
  • 1-[3-[4-[3-(Acetylamino)phenyl]piperidino]propylcarbamoyl]-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylic acid (11C)methyl ester
Thsaurus map：
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