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

Systemtic Name: ethyl 3-ethyl-6-(2-fluorophenyl)-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(2-fluorophenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(2-fluorophenyl)-4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(2-fluorophenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-(2-fluorophenyl)-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H31FN4O4S MolecularWeight: 514.612143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2F)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2F)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H31FN4O4S/c1-4-30-20(16-29-12-13-31(17(3)15-29)24(32)21-11-8-14-36-21)22(25(33)35-5-2)23(28-26(30)34)18-9-6-7-10-19(18)27/h6-11,14,17,23H,4-5,12-13,15-16H2,1-3H3,(H,28,34)