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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(4-ethanoylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-acetyl-1-piperazinyl)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-acetylpiperazino)methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4/c1-3-29-19(27)17-16(12-24-8-10-25(11-9-24)13(2)26)22-20(28)23-18(17)14-4-6-15(21)7-5-14/h4-7,18H,3,8-12H2,1-2H3,(H2,22,23,28)