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

Systemtic Name: 2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-propyl-acetamide CAS Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]-N-propylacetamide IUPAC Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-propylacetamide Traditional Name: 2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]-N-propyl-acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-2-8-17-12(22)9-24-16-20-13-14(18-10-19-15(13)23)21(16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,22)(H,18,19,23)