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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(3,4-dichlorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-6-(3,4-dichlorophenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H26Cl2N4O4 MolecularWeight: 469.36154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)C)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)C)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H26Cl2N4O4/c1-4-31-20(29)18-17(12-26-7-9-27(10-8-26)13(2)28)25(3)21(30)24-19(18)14-5-6-15(22)16(23)11-14/h5-6,11,19H,4,7-10,12H2,1-3H3,(H,24,30)