2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(6-amino-7H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(6-amino-7H-purin-8-yl)thio]acetamide Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O2S/c1-8(22)9-3-2-4-10(5-9)19-11(23)6-24-15-20-12-13(16)17-7-18-14(12)21-15/h2-5,7H,6H2,1H3,(H,19,23)(H3,16,17,18,20,21)