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

Systemtic Name: ethyl (4R,5S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonyl-1-piperazinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-(4-chlorophenyl)-2-(4-ethoxycarbonylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-2-(4-carbethoxypiperazino)-4-(4-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=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N=C(NC1=O)N2CCN(CC2)C(=O)OCC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O5/c1-3-29-18(27)15-16(13-5-7-14(21)8-6-13)22-19(23-17(15)26)24-9-11-25(12-10-24)20(28)30-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,22,23,26)/t15-,16-/m0/s1