N-(3,4-dimethylphenyl)-2-(6-methylsulfanylpurin-9-yl)ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(6-methylsulfanylpurin-9-yl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(6-methylsulfanylpurin-9-yl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[6-(methylthio)-9-purinyl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(6-methylsulfanylpurin-9-yl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[6-(methylthio)purin-9-yl]acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3SC)C

InChI

InChI=1S/C16H17N5OS/c1-10-4-5-12(6-11(10)2)20-13(22)7-21-9-19-14-15(21)17-8-18-16(14)23-3/h4-6,8-9H,7H2,1-3H3,(H,20,22)