ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20Cl2N2O2S MolecularWeight: 435.3667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H20Cl2N2O2S/c1-3-27-20(26)18-13(2)24-21(25-19(18)15-7-5-4-6-8-15)28-12-14-9-10-16(22)17(23)11-14/h4-11,19H,3,12H2,1-2H3,(H,24,25)