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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-2-oxidanylidene-4-[(4-propanoylpiperazin-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3,4-dichlorophenyl)-2-oxo-4-[(4-propanoylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-2-oxo-4-[[4-(1-oxopropyl)-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-2-oxo-4-[(4-propanoylpiperazin-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3,4-dichlorophenyl)-2-keto-4-[(4-propionylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H30Cl2N4O4 MolecularWeight: 509.4254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C24H30Cl2N4O4/c1-4-9-30-19(15-28-10-12-29(13-11-28)20(31)5-2)21(23(32)34-6-3)22(27-24(30)33)16-7-8-17(25)18(26)14-16/h4,7-8,14,22H,1,5-6,9-13,15H2,2-3H3,(H,27,33)