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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-4-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3,4-dichlorophenyl)-4-[(4-ethylpiperazino)methyl]-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C21H28Cl2N4O3/c1-4-26-8-10-27(11-9-26)13-17-18(20(28)30-5-2)19(24-21(29)25(17)3)14-6-7-15(22)16(23)12-14/h6-7,12,19H,4-5,8-11,13H2,1-3H3,(H,24,29)