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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N6O4P/c1-8(2)4-15-11-10-12(18-13(14)17-11)19(6-16-10)5-9(3)23-7-24(20,21)22/h6,8-9H,4-5,7H2,1-3H3,(H2,20,21,22)(H3,14,15,17,18)/t9-/m1/s1