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

Systemtic Name: ethyl 3-ethyl-6-(4-fluorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-fluorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(4-fluorophenyl)-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(4-fluorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-(4-fluorophenyl)-2-keto-4-[(3-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29FN4O3 MolecularWeight: 404.478363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)F)C(=O)OCC)CN3CCNC(C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)F)C(=O)OCC)CN3CCNC(C3)C

InChI

InChI=1S/C21H29FN4O3/c1-4-26-17(13-25-11-10-23-14(3)12-25)18(20(27)29-5-2)19(24-21(26)28)15-6-8-16(22)9-7-15/h6-9,14,19,23H,4-5,10-13H2,1-3H3,(H,24,28)