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

Systemtic Name: 2-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(2-oxo-3,7-dihydropurin-6-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(2-keto-3,7-dihydropurin-6-yl)thio]-N-phenyl-acetamide Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c19-9(16-8-4-2-1-3-5-8)6-21-12-10-11(15-7-14-10)17-13(20)18-12/h1-5,7H,6H2,(H,16,19)(H2,14,15,17,18,20)