N-(1-phenylethyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(1-phenylethyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(1-phenylethyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(1-phenylethyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(1-phenylethyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(1-phenylethyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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