1-(4-nitrophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-(7H-purin-8-ylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(7H-purin-8-ylsulfanyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(7H-purin-8-ylthio)ethanone Formula: C13H9N5O3S MolecularWeight: 315.30726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=NC=NC=C3N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=NC=NC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O3S/c19-11(8-1-3-9(4-2-8)18(20)21)6-22-13-16-10-5-14-7-15-12(10)17-13/h1-5,7H,6H2,(H,14,15,16,17)