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

Systemtic Name: [(2R)-1-[6-(propoxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-1-methyl-2-[6-(propoxycarbonylamino)purin-9-yl]ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[6-[[oxo(propoxy)methyl]amino]-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[6-(propoxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-1-methyl-2-[6-(propoxycarbonylamino)purin-9-yl]ethoxy]methylphosphonic acid Formula: C13H20N5O6P MolecularWeight: 373.301561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)NC1=NC=NC2=C1N=CN2C[C@@H](C)OCP(=O)(O)O

InChI

InChI=1S/C13H20N5O6P/c1-3-4-23-13(19)17-11-10-12(15-6-14-11)18(7-16-10)5-9(2)24-8-25(20,21)22/h6-7,9H,3-5,8H2,1-2H3,(H2,20,21,22)(H,14,15,17,19)/t9-/m1/s1