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

Systemtic Name: ethyl 6-(3-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-fluorophenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-fluorophenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-fluorophenyl)-2-keto-4-[(4-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29FN4O3 MolecularWeight: 416.489063

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O3/c1-4-9-27-18(15-26-12-10-25(3)11-13-26)19(21(28)30-5-2)20(24-22(27)29)16-7-6-8-17(23)14-16/h4,6-8,14,20H,1,5,9-13,15H2,2-3H3,(H,24,29)