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

Systemtic Name: N-(4-acetamidophenyl)-5-chloranyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-5-chloro-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-5-chloro-2-[(2-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H16ClFN4O2S MolecularWeight: 430.883043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H16ClFN4O2S/c1-12(27)24-14-6-8-15(9-7-14)25-19(28)18-16(21)10-23-20(26-18)29-11-13-4-2-3-5-17(13)22/h2-10H,11H2,1H3,(H,24,27)(H,25,28)