ethyl 6-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-fluorobenzyl)-methyl-amino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H24FN3O3/c1-3-29-21(27)19-18(14-26(2)13-15-8-7-11-17(23)12-15)24-22(28)25-20(19)16-9-5-4-6-10-16/h4-12,20H,3,13-14H2,1-2H3,(H2,24,25,28)