2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H11ClFN5OS MolecularWeight: 327.765043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)N)N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)N)N)Cl)F

InChI

InChI=1S/C12H11ClFN5OS/c13-7-3-6(1-2-8(7)14)17-11(20)5-21-12-18-9(15)4-10(16)19-12/h1-4H,5H2,(H,17,20)(H4,15,16,18,19)