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

Systemtic Name: ethyl 3-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]-6-(2-fluorophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[(4-ethyl-1-piperazinyl)methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]-6-(2-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[(4-ethylpiperazino)methyl]-6-(2-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31FN4O3 MolecularWeight: 418.504943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C22H31FN4O3/c1-4-25-11-13-26(14-12-25)15-18-19(21(28)30-6-3)20(24-22(29)27(18)5-2)16-9-7-8-10-17(16)23/h7-10,20H,4-6,11-15H2,1-3H3,(H,24,29)