N-(2-chloranyl-5-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C13H9ClN6O3S MolecularWeight: 364.76696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN6O3S/c14-8-2-1-7(20(22)23)3-9(8)19-10(21)4-24-13-11-12(16-5-15-11)17-6-18-13/h1-3,5-6H,4H2,(H,19,21)(H,15,16,17,18)