N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C17H14FN5O2S MolecularWeight: 371.388763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=N3)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=N3)N)F

InChI

InChI=1S/C17H14FN5O2S/c18-12-7-2-1-6-11(12)15(24)21-13-14(19)22-17(23-16(13)25)26-9-10-5-3-4-8-20-10/h1-8H,9H2,(H,21,24)(H3,19,22,23,25)