2-(7H-purin-6-ylsulfanyl)-N-[(E)-pyridin-3-ylmethylideneamino]ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-[(E)-pyridin-3-ylmethylideneamino]ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-[(E)-3-pyridylmethyleneamino]acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-[(E)-3-pyridinylmethylideneamino]acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-[(E)-3-pyridylmethyleneamino]acetamide Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=NNC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CN=C1)/C=N/NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H11N7OS/c21-10(20-19-5-9-2-1-3-14-4-9)6-22-13-11-12(16-7-15-11)17-8-18-13/h1-5,7-8H,6H2,(H,20,21)(H,15,16,17,18)/b19-5+