ethyl 4-(2,5-dimethylphenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-carbethoxypiperazino)methyl]-4-(2,5-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H32N4O5/c1-5-31-21(28)19-18(14-26-9-11-27(12-10-26)23(30)32-6-2)24-22(29)25-20(19)17-13-15(3)7-8-16(17)4/h7-8,13,20H,5-6,9-12,14H2,1-4H3,(H2,24,25,29)