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

Systemtic Name: ethyl 4-[(4-ethanoylpiperazin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-3-allyl-6-(3-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-allyl-6-(3-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4O4/c1-4-9-28-19(15-26-10-12-27(13-11-26)16(3)29)20(22(30)32-5-2)21(25-23(28)31)17-7-6-8-18(24)14-17/h4,6-8,14,21H,1,5,9-13,15H2,2-3H3,(H,25,31)