2-(2-azanyl-8-bromanyl-6-oxidanylidene-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-8-bromanyl-6-oxidanylidene-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-8-bromo-6-oxo-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-8-bromo-6-oxo-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-8-bromo-6-oxo-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-8-bromo-6-keto-1,7-dipropyl-8H-purin-9-yl)ethoxymethylphosphonic acid Formula: C14H25BrN5O5P MolecularWeight: 454.256561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(N(C2=C1C(=O)N(C(=N2)N)CCC)CCOCP(=O)(O)O)Br

Isomeric SMILES

CCCN1C(N(C2=C1C(=O)N(C(=N2)N)CCC)CCOCP(=O)(O)O)Br

InChI

InChI=1S/C14H25BrN5O5P/c1-3-5-18-10-11(17-14(16)20(6-4-2)12(10)21)19(13(18)15)7-8-25-9-26(22,23)24/h13H,3-9H2,1-2H3,(H2,16,17)(H2,22,23,24)