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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(4-propylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(4-propylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[(4-propyl-1-piperazinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(4-propylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(4-propylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCN1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C21H29ClN4O3/c1-3-9-25-10-12-26(13-11-25)14-17-18(20(27)29-4-2)19(24-21(28)23-17)15-5-7-16(22)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3,(H2,23,24,28)