N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

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