phenethyl 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23ClN2O3/c1-3-25-15(2)19(21(26)28-14-13-16-7-5-4-6-8-16)20(24-22(25)27)17-9-11-18(23)12-10-17/h4-12,20H,3,13-14H2,1-2H3,(H,24,27)