ethyl 1-[(4-bromophenyl)methyl]-2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-2-[(2-chlorophenyl)methylthio]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-2-[(2-chlorophenyl)methylsulfanyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-bromobenzyl)-2-[(2-chlorobenzyl)thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18BrClN2O3S MolecularWeight: 493.80122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)Br)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)Br)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H18BrClN2O3S/c1-2-28-20(27)17-11-24-21(29-13-15-5-3-4-6-18(15)23)25(19(17)26)12-14-7-9-16(22)10-8-14/h3-11H,2,12-13H2,1H3