ethyl 4-(3-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-2-(4-ethoxycarbonyl-1-piperazinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-carbethoxypiperazino)-4-(3-chlorophenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25ClN4O5 MolecularWeight: 436.8893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O5/c1-3-29-18(27)15-16(13-6-5-7-14(21)12-13)22-19(23-17(15)26)24-8-10-25(11-9-24)20(28)30-4-2/h5-7,12,15-16H,3-4,8-11H2,1-2H3,(H,22,23,26)