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

Systemtic Name: methyl 4-(4-cyanophenyl)-2-oxidanylidene-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-27-20(25)18-17(12-9-14-5-3-2-4-6-14)23-21(26)24-19(18)16-10-7-15(13-22)8-11-16/h2-8,10-11,19H,9,12H2,1H3,(H2,23,24,26)