2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(6-keto-3,7-dihydropurin-2-yl)thio]-N-phenethyl-acetamide Formula: C15H15N5O2S MolecularWeight: 329.3769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C15H15N5O2S/c21-11(16-7-6-10-4-2-1-3-5-10)8-23-15-19-13-12(14(22)20-15)17-9-18-13/h1-5,9H,6-8H2,(H,16,21)(H2,17,18,19,20,22)