N-(5-chloranylpyridin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(7H-purin-6-ylthio)acetamide Formula: C12H9ClN6OS MolecularWeight: 320.75746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN6OS/c13-7-1-2-8(14-3-7)19-9(20)4-21-12-10-11(16-5-15-10)17-6-18-12/h1-3,5-6H,4H2,(H,14,19,20)(H,15,16,17,18)