[(2R)-1-[2-azanyl-6-(phenethylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[2-azanyl-6-(phenethylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(phenethylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(phenethylamino)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(phenethylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(phenethylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C17H23N6O4P MolecularWeight: 406.376081

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](CN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)N)OCP(=O)(O)O

InChI

InChI=1S/C17H23N6O4P/c1-12(27-11-28(24,25)26)9-23-10-20-14-15(21-17(18)22-16(14)23)19-8-7-13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3,(H2,24,25,26)(H3,18,19,21,22)/t12-/m1/s1