2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]-1-phenylethanone IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]-1-phenyl-ethanone Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=NC=NC32)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=NC=NC32)N

InChI

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