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

Systemtic Name: [(2S)-1-[6-(propan-2-ylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[6-(isopropylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[6-(propan-2-ylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[6-(propan-2-ylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[6-(isopropylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C12H20N5O4P MolecularWeight: 329.292061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC2=C1N=CN2CC(C)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2NC(C)C)OCP(=O)(O)O

InChI

InChI=1S/C12H20N5O4P/c1-8(2)16-11-10-12(14-5-13-11)17(6-15-10)4-9(3)21-7-22(18,19)20/h5-6,8-9H,4,7H2,1-3H3,(H,13,14,16)(H2,18,19,20)/t9-/m0/s1