[3-(6-bromanylpurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(6-bromanylpurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(6-bromopurin-9-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(6-bromo-9-purinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(6-bromopurin-9-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(6-bromopurin-9-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C10H14BrN4O5P MolecularWeight: 381.119721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)Br)N=CN2C(CCOCP(=O)(O)O)CO

Isomeric SMILES

C1=NC2=C(C(=N1)Br)N=CN2C(CCOCP(=O)(O)O)CO

InChI

InChI=1S/C10H14BrN4O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-16)1-2-20-6-21(17,18)19/h4-5,7,16H,1-3,6H2,(H2,17,18,19)