ethyl 3-[(2-chloranyl-8-ethyl-7H-purin-6-yl)amino]butanoate

Systemtic Name: ethyl 3-[(2-chloranyl-8-ethyl-7H-purin-6-yl)amino]butanoate Openeye Name: ethyl 3-[(2-chloro-8-ethyl-7H-purin-6-yl)amino]butanoate CAS Name: 3-[(2-chloro-8-ethyl-7H-purin-6-yl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-8-ethyl-7H-purin-6-yl)amino]butanoate Traditional Name: 3-[(2-chloro-8-ethyl-7H-purin-6-yl)amino]butyric acid ethyl ester Formula: C13H18ClN5O2 MolecularWeight: 311.76732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)Cl)NC(C)CC(=O)OCC

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)Cl)NC(C)CC(=O)OCC

InChI

InChI=1S/C13H18ClN5O2/c1-4-8-16-10-11(18-13(14)19-12(10)17-8)15-7(3)6-9(20)21-5-2/h7H,4-6H2,1-3H3,(H2,15,16,17,18,19)