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

Systemtic Name: [2-[6-(hydroxymethylamino)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-[6-(hydroxymethylamino)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(hydroxymethylamino)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-[6-(hydroxymethylamino)purin-9-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(methylolamino)purin-9-yl]butoxy]methylphosphonic acid Formula: C11H18N5O6P MolecularWeight: 347.264281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N5O6P/c17-2-1-8(3-22-7-23(19,20)21)16-5-14-9-10(15-6-18)12-4-13-11(9)16/h4-5,8,17-18H,1-3,6-7H2,(H,12,13,15)(H2,19,20,21)