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

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonylpiperazin-1-yl)methyl]-6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclopentanecarbonyl)piperazino]methyl]-6-(2,4-dichlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34Cl2N4O4 MolecularWeight: 549.48926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C27H34Cl2N4O4/c1-3-11-33-22(17-31-12-14-32(15-13-31)25(34)18-7-5-6-8-18)23(26(35)37-4-2)24(30-27(33)36)20-10-9-19(28)16-21(20)29/h3,9-10,16,18,24H,1,4-8,11-15,17H2,2H3,(H,30,36)