N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C18H14ClFN4O2S MolecularWeight: 404.845763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC=C3Cl)F)N

InChI

InChI=1S/C18H14ClFN4O2S/c19-12-7-4-8-13(20)11(12)9-27-18-23-15(21)14(17(26)24-18)22-16(25)10-5-2-1-3-6-10/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)