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

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(4-bromophenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(4-bromophenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(4-bromobenzyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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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=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN2O3S/c1-2-27-20(26)18-12-23-21(28-14-16-6-4-3-5-7-16)24(19(18)25)13-15-8-10-17(22)11-9-15/h3-12H,2,13-14H2,1H3