N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C20H14ClN5O2S MolecularWeight: 423.87546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN5O2S/c21-13-6-7-15(14(8-13)18(28)12-4-2-1-3-5-12)26-16(27)9-29-20-17-19(23-10-22-17)24-11-25-20/h1-8,10-11H,9H2,(H,26,27)(H,22,23,24,25)