(2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C14H11BrFN5OS MolecularWeight: 396.237443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H11BrFN5OS/c1-7(13(22)21-10-3-2-8(15)4-9(10)16)23-14-11-12(18-5-17-11)19-6-20-14/h2-7H,1H3,(H,21,22)(H,17,18,19,20)/t7-/m1/s1