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

Systemtic Name: [(2S)-1-[6-(2-dimethylaminoethylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[6-(2-dimethylaminoethylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[6-(2-dimethylaminoethylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[6-(2-dimethylaminoethylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[6-(2-dimethylaminoethylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H23N6O4P MolecularWeight: 358.333281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2NCCN(C)C)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2NCCN(C)C)OCP(=O)(O)O

InChI

InChI=1S/C13H23N6O4P/c1-10(23-9-24(20,21)22)6-19-8-17-11-12(14-4-5-18(2)3)15-7-16-13(11)19/h7-8,10H,4-6,9H2,1-3H3,(H,14,15,16)(H2,20,21,22)/t10-/m0/s1