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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-6-(4-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-ethylpiperazin-1-yl)methyl]-6-(4-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-ethyl-1-piperazinyl)methyl]-6-(4-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-6-(4-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-ethylpiperazino)methyl]-6-(4-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H31FN4O3 MolecularWeight: 430.515643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C23H31FN4O3/c1-4-11-28-19(16-27-14-12-26(5-2)13-15-27)20(22(29)31-6-3)21(25-23(28)30)17-7-9-18(24)10-8-17/h4,7-10,21H,1,5-6,11-16H2,2-3H3,(H,25,30)