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

Systemtic Name: N-(4-propan-2-ylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-p-cumenyl-2-(7H-purin-6-ylthio)acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS/c1-10(2)11-3-5-12(6-4-11)21-13(22)7-23-16-14-15(18-8-17-14)19-9-20-16/h3-6,8-10H,7H2,1-2H3,(H,21,22)(H,17,18,19,20)