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

Systemtic Name: phenethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chlorophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-14-18(20(25)27-13-12-15-8-4-3-5-9-15)19(23-21(26)24(14)2)16-10-6-7-11-17(16)22/h3-11,19H,12-13H2,1-2H3,(H,23,26)