ethyl 6-(4-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-chlorophenyl)-2-keto-4-[(4-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O3/c1-4-10-27-18(15-26-13-11-25(3)12-14-26)19(21(28)30-5-2)20(24-22(27)29)16-6-8-17(23)9-7-16/h4,6-9,20H,1,5,10-15H2,2-3H3,(H,24,29)