ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-bromophenyl)-6-methyl-2-(methylthio)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)Br)SC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)Br)SC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21BrN2O2S/c1-4-26-20(25)18-14(2)24(17-8-6-5-7-9-17)21(27-3)23-19(18)15-10-12-16(22)13-11-15/h5-13,19H,4H2,1-3H3