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

Systemtic Name: ethyl 6-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(4-sec-butylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-butan-2-yl-1-piperazinyl)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(4-sec-butylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31ClN4O3 MolecularWeight: 434.95954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H31ClN4O3/c1-4-15(3)27-12-10-26(11-13-27)14-18-19(21(28)30-5-2)20(25-22(29)24-18)16-6-8-17(23)9-7-16/h6-9,15,20H,4-5,10-14H2,1-3H3,(H2,24,25,29)