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

Systemtic Name: 5-chloranyl-N-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-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=CC=C3F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F)OC

InChI

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