ethyl 6-(3,4-dichlorophenyl)-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3,4-dichlorophenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3,4-dichlorophenyl)-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H30Cl2N4O4S MolecularWeight: 577.5225

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)Cl)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H30Cl2N4O4S/c1-4-10-33-21(16-31-11-12-32(17(3)15-31)25(34)22-7-6-13-38-22)23(26(35)37-5-2)24(30-27(33)36)18-8-9-19(28)20(29)14-18/h4,6-9,13-14,17,24H,1,5,10-12,15-16H2,2-3H3,(H,30,36)