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

Systemtic Name: [(2S)-1-[2-azanyl-6-(dimethylamino)purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[2-amino-6-(dimethylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[2-amino-6-(dimethylamino)-9-purinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[2-amino-6-(dimethylamino)purin-9-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[2-amino-6-(dimethylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C11H19N6O5P MolecularWeight: 346.279521

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2C[C@@H](CO)OCP(=O)(O)O)N

InChI

InChI=1S/C11H19N6O5P/c1-16(2)9-8-10(15-11(12)14-9)17(5-13-8)3-7(4-18)22-6-23(19,20)21/h5,7,18H,3-4,6H2,1-2H3,(H2,12,14,15)(H2,19,20,21)/t7-/m0/s1