[3-[6-(2-hydroxyethylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [3-[6-(2-hydroxyethylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [2-hydroxy-3-[6-(2-hydroxyethylamino)purin-9-yl]propoxy]methylphosphonic acid CAS Name: [2-hydroxy-3-[6-(2-hydroxyethylamino)-9-purinyl]propoxy]methylphosphonic acid IUPAC Name: [2-hydroxy-3-[6-(2-hydroxyethylamino)purin-9-yl]propoxy]methylphosphonic acid Traditional Name: [2-hydroxy-3-[6-(2-hydroxyethylamino)purin-9-yl]propoxy]methylphosphonic acid Formula: C11H18N5O6P MolecularWeight: 347.264281

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCO)N=CN2CC(COCP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCCO)N=CN2CC(COCP(=O)(O)O)O

InChI

InChI=1S/C11H18N5O6P/c17-2-1-12-10-9-11(14-5-13-10)16(6-15-9)3-8(18)4-22-7-23(19,20)21/h5-6,8,17-18H,1-4,7H2,(H,12,13,14)(H2,19,20,21)