2-(7H-purin-6-ylsulfanyl)-N-[2,4,6-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-[2,4,6-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-(2,4,6-trichlorophenyl)acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-(2,4,6-trichlorophenyl)acetamide Formula: C13H8Cl3N5OS MolecularWeight: 388.65952

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)NC(=O)CSC2=NC=NC3=C2NC=N3)Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)NC(=O)CSC2=NC=NC3=C2NC=N3)Cl)Cl

InChI

InChI=1S/C13H8Cl3N5OS/c14-6-1-7(15)10(8(16)2-6)21-9(22)3-23-13-11-12(18-4-17-11)19-5-20-13/h1-2,4-5H,3H2,(H,21,22)(H,17,18,19,20)