2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3,5-bis(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3,5-bis(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3,5-difluorophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3,5-difluorophenyl)acetamide Formula: C13H9F2N5OS MolecularWeight: 321.305266

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=C(C=C(C=C1F)F)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H9F2N5OS/c14-8-1-9(15)3-10(2-8)19-11(21)6-22-13-18-5-7(4-16)12(17)20-13/h1-3,5H,6H2,(H,19,21)(H2,17,18,20)