N-(3-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(m-tolyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3-methylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3-methylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(m-tolyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H13N5OS/c1-9-3-2-4-10(5-9)19-11(20)6-21-14-12-13(16-7-15-12)17-8-18-14/h2-5,7-8H,6H2,1H3,(H,19,20)(H,15,16,17,18)