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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(m-tolyl)acetamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6OS/c1-8-3-2-4-9(5-8)18-10(21)6-22-14-19-11-12(15)16-7-17-13(11)20-14/h2-5,7H,6H2,1H3,(H,18,21)(H3,15,16,17,19,20)