N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C13H9F2N5O2S MolecularWeight: 337.304666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C(NC(=NC2=O)SCC#N)N)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C(NC(=NC2=O)SCC#N)N)F)F

InChI

InChI=1S/C13H9F2N5O2S/c14-7-2-1-6(5-8(7)15)11(21)18-9-10(17)19-13(20-12(9)22)23-4-3-16/h1-2,5H,4H2,(H,18,21)(H3,17,19,20,22)