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

Systemtic Name: ethyl 4-[(4-ethanoylpiperazin-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C25H36N4O4/c1-6-29-21(16-27-12-14-28(15-13-27)18(5)30)22(24(31)33-7-2)23(26-25(29)32)20-10-8-19(9-11-20)17(3)4/h8-11,17,23H,6-7,12-16H2,1-5H3,(H,26,32)