1-(4-chloranyl-3-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C13H8ClN5O3S MolecularWeight: 349.75232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN5O3S/c14-8-2-1-7(3-9(8)19(21)22)10(20)4-23-13-11-12(16-5-15-11)17-6-18-13/h1-3,5-6H,4H2,(H,15,16,17,18)