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

Systemtic Name: ethyl 4-[[4-(2-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(2-fluorobenzoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(2-fluorobenzoyl)-3-methyl-piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H31FN4O4S MolecularWeight: 526.622843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H31FN4O4S/c1-4-11-32-22(23(26(34)36-5-2)24(29-27(32)35)19-10-14-37-17-19)16-30-12-13-31(18(3)15-30)25(33)20-8-6-7-9-21(20)28/h4,6-10,14,17-18,24H,1,5,11-13,15-16H2,2-3H3,(H,29,35)