1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol

Systemtic Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol Openeye Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol CAS Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylthio)ethanol IUPAC Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanol Traditional Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylthio)ethanol Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CSC2=NC=NC3=C2NC=N3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CSC2=NC=NC3=C2NC=N3)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c19-10(8-1-3-9(4-2-8)18(20)21)5-22-13-11-12(15-6-14-11)16-7-17-13/h1-4,6-7,10,19H,5H2,(H,14,15,16,17)