N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C21H19N5OS/c1-13-7-6-10-16(14(13)2)26-20(27)18(15-8-4-3-5-9-15)28-21-17-19(23-11-22-17)24-12-25-21/h3-12,18H,1-2H3,(H,26,27)(H,22,23,24,25)