[2-[6-(2-hydroxyethylamino)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-[6-(2-hydroxyethylamino)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-[6-(2-hydroxyethylamino)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(2-hydroxyethylamino)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-[6-(2-hydroxyethylamino)purin-9-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(2-hydroxyethylamino)purin-9-yl]butoxy]methylphosphonic acid Formula: C12H20N5O6P MolecularWeight: 361.290861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCO)N=CN2C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCCO)N=CN2C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C12H20N5O6P/c18-3-1-9(5-23-8-24(20,21)22)17-7-16-10-11(13-2-4-19)14-6-15-12(10)17/h6-7,9,18-19H,1-5,8H2,(H,13,14,15)(H2,20,21,22)