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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonylpiperazin-1-yl)methyl]-6-(3,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-6-(3,4-dichlorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]methyl]-6-(3,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-6-(3,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclobutanecarbonyl)piperazino]methyl]-6-(3,4-dichlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32Cl2N4O4 MolecularWeight: 535.46268

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(CC3)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C26H32Cl2N4O4/c1-3-10-32-21(16-30-11-13-31(14-12-30)24(33)17-6-5-7-17)22(25(34)36-4-2)23(29-26(32)35)18-8-9-19(27)20(28)15-18/h3,8-9,15,17,23H,1,4-7,10-14,16H2,2H3,(H,29,35)