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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxole-5-carbonyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-piperonyloyl-piperazine-1-carbonyl)-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C25H30N4O6/c1-5-7-18-21(25(32)33-6-2)22(27-16(4)26-18)24(31)28-10-11-29(15(3)13-28)23(30)17-8-9-19-20(12-17)35-14-34-19/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3