N-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanamide

Systemtic Name: N-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanamide Openeye Name: N-[4-(7H-purin-6-ylsulfanyl)phenyl]acetamide CAS Name: N-[4-(7H-purin-6-ylthio)phenyl]acetamide IUPAC Name: N-[4-(7H-purin-6-ylsulfanyl)phenyl]acetamide Traditional Name: N-[4-(7H-purin-6-ylthio)phenyl]acetamide Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5OS/c1-8(19)18-9-2-4-10(5-3-9)20-13-11-12(15-6-14-11)16-7-17-13/h2-7H,1H3,(H,18,19)(H,14,15,16,17)