ethyl 4-(4-cyanophenyl)-2-oxidanylidene-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-oxidanylidene-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-oxo-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-oxo-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-oxo-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-keto-6-(phenoxymethyl)-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)NC1C2=CC=C(C=C2)C#N)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C#N)COC3=CC=CC=C3

InChI

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