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

Systemtic Name: [(2S)-1-[6-(2-methylpropylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[6-(isobutylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[6-(2-methylpropylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[6-(2-methylpropylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[6-(isobutylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC=NC2=C1N=CN2CC(C)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2NCC(C)C)OCP(=O)(O)O

InChI

InChI=1S/C13H22N5O4P/c1-9(2)4-14-12-11-13(16-6-15-12)18(7-17-11)5-10(3)22-8-23(19,20)21/h6-7,9-10H,4-5,8H2,1-3H3,(H,14,15,16)(H2,19,20,21)/t10-/m0/s1