[2-(6-chloranylpurin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-(6-chloranylpurin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [2-(6-chloropurin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [2-(6-chloro-7-purinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [2-(6-chloropurin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [2-(6-chloropurin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C10H14ClN4O5P MolecularWeight: 336.668721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)Cl)N(C=N2)C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)Cl)N(C=N2)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C10H14ClN4O5P/c11-9-8-10(13-4-12-9)14-5-15(8)7(1-2-16)3-20-6-21(17,18)19/h4-5,7,16H,1-3,6H2,(H2,17,18,19)