ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-4-[(4-ethyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazino)methyl]-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H30Cl2N4O3 MolecularWeight: 481.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C23H30Cl2N4O3/c1-4-9-29-19(15-28-12-10-27(5-2)11-13-28)20(22(30)32-6-3)21(26-23(29)31)16-7-8-17(24)18(25)14-16/h4,7-8,14,21H,1,5-6,9-13,15H2,2-3H3,(H,26,31)