N-[2-(phenylcarbonyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[2-(phenylcarbonyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-benzoylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-benzoylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-benzoylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-benzoylphenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H15N5O2S/c26-16(10-28-20-17-19(22-11-21-17)23-12-24-20)25-15-9-5-4-8-14(15)18(27)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,25,26)(H,21,22,23,24)