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

Systemtic Name: [2-[6-(dimethylamino)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [2-[6-(dimethylamino)purin-9-yl]-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [2-[6-(dimethylamino)-9-purinyl]-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [2-[6-(dimethylamino)purin-9-yl]-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [2-[6-(dimethylamino)purin-9-yl]-4-hydroxy-butoxy]methylphosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C12H20N5O5P/c1-16(2)11-10-12(14-6-13-11)17(7-15-10)9(3-4-18)5-22-8-23(19,20)21/h6-7,9,18H,3-5,8H2,1-2H3,(H2,19,20,21)