1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(2,4-dichlorophenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C13H8Cl2N4OS MolecularWeight: 339.19982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8Cl2N4OS/c14-7-1-2-8(9(15)3-7)10(20)4-21-13-11-12(17-5-16-11)18-6-19-13/h1-3,5-6H,4H2,(H,16,17,18,19)