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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC=CC=C3F)C(=O)OCC

InChI

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