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

Systemtic Name: [3-[2-azanyl-6-(2-dimethylaminoethylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[2-amino-6-(2-dimethylaminoethylamino)-9-purinyl]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid Formula: C13H24N7O5P MolecularWeight: 389.347321

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)(O)O)O)N

Isomeric SMILES

CN(C)CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)(O)O)O)N

InChI

InChI=1S/C13H24N7O5P/c1-19(2)4-3-15-11-10-12(18-13(14)17-11)20(7-16-10)5-9(21)6-25-8-26(22,23)24/h7,9,21H,3-6,8H2,1-2H3,(H2,22,23,24)(H3,14,15,17,18)