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

Systemtic Name: ethyl 6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(2,4-dichlorophenyl)-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dichlorophenyl)-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(2,4-dichlorophenyl)-2-keto-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H28Cl2N4O4S MolecularWeight: 563.49592

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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)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H28Cl2N4O4S/c1-3-9-32-20(16-30-10-12-31(13-11-30)24(33)21-6-5-14-37-21)22(25(34)36-4-2)23(29-26(32)35)18-8-7-17(27)15-19(18)28/h3,5-8,14-15,23H,1,4,9-13,16H2,2H3,(H,29,35)