N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-bromophenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C19H14BrN5OS MolecularWeight: 440.31636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)Br)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)Br)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H14BrN5OS/c20-13-6-8-14(9-7-13)25-18(26)16(12-4-2-1-3-5-12)27-19-15-17(22-10-21-15)23-11-24-19/h1-11,16H,(H,25,26)(H,21,22,23,24)