N-tert-butyl-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3)NC=NC2=O

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3)NC=NC2=O

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)21-12(23)9-25-16-20-13-14(18-10-19-15(13)24)22(16)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,21,23)(H,18,19,24)