3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(2-furylmethyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2-furanylmethyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-(2-furfuryl)propionamide Formula: C13H12ClN5O2S MolecularWeight: 337.78468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H12ClN5O2S/c14-13-18-11-10(16-7-17-11)12(19-13)22-5-3-9(20)15-6-8-2-1-4-21-8/h1-2,4,7H,3,5-6H2,(H,15,20)(H,16,17,18,19)