2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-phenyl-acetamide Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C13H12N6OS/c14-11-10-12(16-7-15-11)19-13(18-10)21-6-9(20)17-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,17,20)(H3,14,15,16,18,19)