ethyl 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate CAS Name: 2-[(4-cyanophenyl)methylthio]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylate Traditional Name: 2-[(4-cyanobenzyl)thio]-6-methyl-1,4-diphenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O2S/c1-3-33-27(32)25-20(2)31(24-12-8-5-9-13-24)28(30-26(25)23-10-6-4-7-11-23)34-19-22-16-14-21(18-29)15-17-22/h4-17,26H,3,19H2,1-2H3