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

Systemtic Name: ethyl 4-(4-dimethylaminophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-dimethylaminophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-dimethylaminophenyl)-2-[(3-fluorophenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-dimethylaminophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-dimethylaminophenyl)-2-[(3-fluorobenzyl)thio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O2S/c1-5-29-22(28)20-15(2)25-23(30-14-16-7-6-8-18(24)13-16)26-21(20)17-9-11-19(12-10-17)27(3)4/h6-13,21H,5,14H2,1-4H3,(H,25,26)