3-[(6-azanyl-2-propyl-7H-purin-8-yl)oxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(6-azanyl-2-propyl-7H-purin-8-yl)oxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(6-amino-2-propyl-7H-purin-8-yl)oxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(6-amino-2-propyl-7H-purin-8-yl)oxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(6-amino-2-propyl-7H-purin-8-yl)oxy]pentan-3-ylphosphonic acid Traditional Name: [1-[(6-amino-2-propyl-7H-purin-8-yl)oxy]-1-ethyl-propyl]phosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)N)NC(=N2)OC(CC)(CC)P(=O)(O)O

Isomeric SMILES

CCCC1=NC2=C(C(=N1)N)NC(=N2)OC(CC)(CC)P(=O)(O)O

InChI

InChI=1S/C13H22N5O4P/c1-4-7-8-15-10(14)9-11(16-8)18-12(17-9)22-13(5-2,6-3)23(19,20)21/h4-7H2,1-3H3,(H2,19,20,21)(H3,14,15,16,17,18)