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

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-oxidanylidene-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-keto-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-2-28-21(26)19-18(13-10-15-6-4-3-5-7-15)24-22(27)25-20(19)17-11-8-16(14-23)9-12-17/h3-9,11-12,20H,2,10,13H2,1H3,(H2,24,25,27)