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

Systemtic Name: [(2S)-1-[2-azanyl-6-(propan-2-ylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-2-[2-amino-6-(isopropylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[2-amino-6-(propan-2-ylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[2-amino-6-(propan-2-ylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-2-[2-amino-6-(isopropylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N6O4P/c1-7(2)15-10-9-11(17-12(13)16-10)18(5-14-9)4-8(3)22-6-23(19,20)21/h5,7-8H,4,6H2,1-3H3,(H2,19,20,21)(H3,13,15,16,17)/t8-/m0/s1