ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4-(p-tolyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-4-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxycarbonylpiperazin-1-yl)-4-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-carbethoxypiperazino)-6-keto-4-(p-tolyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O5/c1-4-29-19(27)16-17(15-8-6-14(3)7-9-15)22-20(23-18(16)26)24-10-12-25(13-11-24)21(28)30-5-2/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,22,23,26)