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

Systemtic Name: N-(4-ethanoylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-acetylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-acetylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(4-acetylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C21H17N5O2S/c1-13(27)14-7-9-16(10-8-14)26-20(28)18(15-5-3-2-4-6-15)29-21-17-19(23-11-22-17)24-12-25-21/h2-12,18H,1H3,(H,26,28)(H,22,23,24,25)