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

Systemtic Name: ethyl 6-(3-fluorophenyl)-3-methyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-fluorophenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-fluorophenyl)-3-methyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-fluorophenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-fluorophenyl)-2-keto-3-methyl-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27FN4O4S MolecularWeight: 486.558983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O4S/c1-3-33-23(31)20-18(27(2)24(32)26-21(20)16-6-4-7-17(25)14-16)15-28-9-11-29(12-10-28)22(30)19-8-5-13-34-19/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H,26,32)