2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[4-(2-hydroxyethyl)phenyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[4-(2-hydroxyethyl)phenyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[4-(2-hydroxyethyl)phenyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[4-(2-hydroxyethyl)phenyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[4-(2-hydroxyethyl)phenyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[4-(2-hydroxyethyl)phenyl]acetamide Formula: C15H14ClN5O2S MolecularWeight: 363.82196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCO)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1CCO)NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H14ClN5O2S/c16-15-20-13-12(17-8-18-13)14(21-15)24-7-11(23)19-10-3-1-9(2-4-10)5-6-22/h1-4,8,22H,5-7H2,(H,19,23)(H,17,18,20,21)