2-[(3-methylphenyl)methylsulfanyl]-N-(7H-purin-6-yl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(7H-purin-6-yl)ethanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-(7H-purin-6-yl)acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-(7H-purin-6-yl)acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(7H-purin-6-yl)acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-(7H-purin-6-yl)acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H15N5OS/c1-10-3-2-4-11(5-10)6-22-7-12(21)20-15-13-14(17-8-16-13)18-9-19-15/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,19,20,21)