2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-fluorophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C13H13ClFN5OS MolecularWeight: 341.791623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H13ClFN5OS/c1-6(22-13-19-10(16)5-11(17)20-13)12(21)18-9-3-2-7(15)4-8(9)14/h2-6H,1H3,(H,18,21)(H4,16,17,19,20)