ethyl 4-(4-chlorophenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylsulfanyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylsulfanyl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-methyl-1-(phenylmethyl)-2-(phenylmethylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-benzylsulfanyl-4-(4-chlorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate Traditional Name: 1-benzyl-2-(benzylthio)-4-(4-chlorophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H27ClN2O2S MolecularWeight: 491.04418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H27ClN2O2S/c1-3-33-27(32)25-20(2)31(18-21-10-6-4-7-11-21)28(34-19-22-12-8-5-9-13-22)30-26(25)23-14-16-24(29)17-15-23/h4-17,26H,3,18-19H2,1-2H3