(4S)-6-[(diethylazaniumyl)methyl]-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4S)-6-[(diethylazaniumyl)methyl]-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4S)-6-[(diethylammonio)methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(diethylammonio)methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4S)-6-[(diethylazaniumyl)methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(diethylammonio)methyl]-4-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C16H20FN3O3 MolecularWeight: 321.346703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C16H20FN3O3/c1-3-20(4-2)9-12-13(15(21)22)14(19-16(23)18-12)10-5-7-11(17)8-6-10/h5-8,14H,3-4,9H2,1-2H3,(H,21,22)(H2,18,19,23)/t14-/m0/s1