N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(9-methyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(9-methyl-6-oxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(6-keto-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C14H11BrFN5O2S MolecularWeight: 412.236843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C14H11BrFN5O2S/c1-21-12-11(13(23)18-6-17-12)20-14(21)24-5-10(22)19-9-3-2-7(15)4-8(9)16/h2-4,6H,5H2,1H3,(H,19,22)(H,17,18,23)