N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(2-phenyl-7H-purin-6-yl)thio]acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=NC2=C1NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=NC2=C1NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-17(2,3)22-12(23)9-24-16-13-15(19-10-18-13)20-14(21-16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,22,23)(H,18,19,20,21)