[(2S)-1-[2-azanyl-6-(2-dimethylaminoethylamino)purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-[2-azanyl-6-(2-dimethylaminoethylamino)purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[2-amino-6-(2-dimethylaminoethylamino)-9-purinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[2-amino-6-(2-dimethylaminoethylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C13H24N7O5P MolecularWeight: 389.347321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CCNC1=NC(=NC2=C1N=CN2C[C@@H](CO)OCP(=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(6-21)25-8-26(22,23)24/h7,9,21H,3-6,8H2,1-2H3,(H2,22,23,24)(H3,14,15,17,18)/t9-/m0/s1