2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-phenylethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-phenyl-ethanone Formula: C13H11N5OS MolecularWeight: 285.32434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5OS/c14-11-10-12(16-7-15-11)18-13(17-10)20-6-9(19)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,15,16,17,18)