ethyl 4-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-methyl-4-piperonyloyl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O6/c1-5-31-23(30)19-14(3)24-15(4)25-20(19)22(29)26-8-9-27(13(2)11-26)21(28)16-6-7-17-18(10-16)33-12-32-17/h6-7,10,13H,5,8-9,11-12H2,1-4H3