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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(furan-2-ylmethyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2-furylmethyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2-furanylmethyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(2-furfuryl)propionamide Formula: C13H13ClN6O2 MolecularWeight: 320.73432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H13ClN6O2/c14-13-19-11(10-12(20-13)18-7-17-10)15-4-3-9(21)16-6-8-2-1-5-22-8/h1-2,5,7H,3-4,6H2,(H,16,21)(H2,15,17,18,19,20)