Chem
J-GLOBAL ID：201107031919543214   Nikkaji number：J2.935.210K

2-[[3-[(Dimethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]amino]-4-methylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester

2-[[3-[(ジメチルアミノ)メチル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル]アミノ]-4-メチルピリミジン-1,5(6H)-ジカルボン酸1-tert-ブチル5-エチル
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： C25H36N4O5
Molecular formula furigana： C25-H36-N4-O5
Molecular weight： 472.586
InChI： InChI=1S/C25H36N4O5/c1-8-32-22(30)20-14-29(24(31)34-25(3,4)5)23(26-16(20)2)27-19-9-10-21-18(12-19)11-17(15-33-21)13-28(6)7/h9-10,12,17H,8,11,13-15H2,1-7H3,(H,26,27)
InChI key： HCAHTGHAUUVYQG-UHFFFAOYSA-N
SMILES： CCOC(=O)C1=C(C)N=C(Nc2ccc3OCC(CN(C)C)Cc3c2)N(C1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 2-[[3-[(ジメチルアミノ)メチル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル]アミノ]-4-メチルピリミジン-1,5(6H)-ジカルボン酸1-tert-ブチル5-エチル
  • 1-tert-ブチル 5-エチル 2-({3-[(ジメチルアミノ)メチル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル}アミノ)-4-メチル-1,6-ジヒドロピリミジン-1,5-ジカルボキシラート
  • 1-tert-butyl 5-ethyl 2-({3-[(dimethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-6-yl}amino)-4-methyl-1,6-dihydropyrimidine-1,5-dicarboxylate
Other name (1)：
  • 2-[[3-[(Dimethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]amino]-4-methylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester
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