ethyl 4-(4-fluorophenyl)-2-(4-methanoylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-(4-methanoylpiperazin-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-fluorophenyl)-2-(4-formyl-1-piperazinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(4-formylpiperazino)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21FN4O4 MolecularWeight: 376.382143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O4/c1-2-27-17(26)14-15(12-3-5-13(19)6-4-12)20-18(21-16(14)25)23-9-7-22(11-24)8-10-23/h3-6,11,14-15H,2,7-10H2,1H3,(H,20,21,25)