5-chloranyl-N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H17ClFN3O3S/c1-27-14-7-8-16(17(9-14)28-2)24-19(26)18-15(21)10-23-20(25-18)29-11-12-3-5-13(22)6-4-12/h3-10H,11H2,1-2H3,(H,24,26)