1-[2-[(2-azanyl-7H-purin-6-yl)sulfanyl]phenyl]ethanone

Systemtic Name: 1-[2-[(2-azanyl-7H-purin-6-yl)sulfanyl]phenyl]ethanone Openeye Name: 1-[2-[(2-amino-7H-purin-6-yl)sulfanyl]phenyl]ethanone CAS Name: 1-[2-[(2-amino-7H-purin-6-yl)thio]phenyl]ethanone IUPAC Name: 1-[2-[(2-amino-7H-purin-6-yl)sulfanyl]phenyl]ethanone Traditional Name: 1-[2-[(2-amino-7H-purin-6-yl)thio]phenyl]ethanone Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

CC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2NC=N3)N

InChI

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