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

Systemtic Name: [3-[6-(2-dimethylaminoethylamino)purin-9-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[6-(2-dimethylaminoethylamino)-9-purinyl]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[6-(2-dimethylaminoethylamino)purin-9-yl]-2-hydroxy-propoxy]methylphosphonic acid Formula: C13H23N6O5P MolecularWeight: 374.332681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N6O5P/c1-18(2)4-3-14-12-11-13(16-7-15-12)19(8-17-11)5-10(20)6-24-9-25(21,22)23/h7-8,10,20H,3-6,9H2,1-2H3,(H,14,15,16)(H2,21,22,23)