ethyl 4-[[4-(2-fluorophenyl)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)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-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(2-fluorophenyl)-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-fluorophenyl)piperazin-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-fluorophenyl)piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O3S/c1-3-10-30-21(16-28-11-13-29(14-12-28)20-8-6-5-7-19(20)26)22(24(31)33-4-2)23(27-25(30)32)18-9-15-34-17-18/h3,5-9,15,17,23H,1,4,10-14,16H2,2H3,(H,27,32)