ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-ethoxy-4-oxidanyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-4-(3-ethoxy-4-hydroxy-phenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29ClN4O5 MolecularWeight: 500.97456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OCC)O

InChI

InChI=1S/C25H29ClN4O5/c1-3-34-20-14-16(8-9-19(20)31)22-21(24(33)35-4-2)23(32)28-25(27-22)30-12-10-29(11-13-30)18-7-5-6-17(26)15-18/h5-9,14-15,21-22,31H,3-4,10-13H2,1-2H3,(H,27,28,32)