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

Systemtic Name: N-[6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-2-[(4-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-2-[(4-bromobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C18H14BrFN4O2S MolecularWeight: 449.296763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N)F

InChI

InChI=1S/C18H14BrFN4O2S/c19-11-7-5-10(6-8-11)9-27-18-23-15(21)14(17(26)24-18)22-16(25)12-3-1-2-4-13(12)20/h1-8H,9H2,(H,22,25)(H3,21,23,24,26)