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

Systemtic Name: 2-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide CAS Name: 2-[(2-oxo-3,7-dihydropurin-6-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(2-keto-3,7-dihydropurin-6-yl)thio]acetamide Formula: C14H13N5O2S MolecularWeight: 315.35032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c20-10(15-6-9-4-2-1-3-5-9)7-22-13-11-12(17-8-16-11)18-14(21)19-13/h1-5,8H,6-7H2,(H,15,20)(H2,16,17,18,19,21)