1-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(2-amino-6-pyrrolidin-1-yl-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-(1-pyrrolidinyl)-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(2-amino-6-pyrrolidino-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2N3CCCC3)N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2N3CCCC3)N)OCP(=O)(O)O

InChI

InChI=1S/C13H21N6O4P/c1-9(23-8-24(20,21)22)6-19-7-15-10-11(18-4-2-3-5-18)16-13(14)17-12(10)19/h7,9H,2-6,8H2,1H3,(H2,14,16,17)(H2,20,21,22)