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

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(4-bromobenzyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)Br)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)Br)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O3S/c1-2-28-21(27)19-14-24-22(29-13-12-16-6-4-3-5-7-16)25(20(19)26)15-17-8-10-18(23)11-9-17/h3-11,14H,2,12-13,15H2,1H3