ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-cyanophenyl)phenoxy]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O4/c1-2-27-20(25)18-12-23-21(26)24-19(18)13-28-17-9-7-16(8-10-17)15-5-3-14(11-22)4-6-15/h3-10H,2,12-13H2,1H3,(H2,23,24,26)