2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3,4-dimethylphenyl)acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C15H16N6OS/c1-8-3-4-10(5-9(8)2)19-11(22)6-23-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)