[(2S)-1-(6-pyrrolidin-1-ylpurin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(6-pyrrolidin-1-ylpurin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-methyl-2-(6-pyrrolidin-1-ylpurin-9-yl)ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[6-(1-pyrrolidinyl)-9-purinyl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(6-pyrrolidin-1-ylpurin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-methyl-2-(6-pyrrolidinopurin-9-yl)ethoxy]methylphosphonic acid Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N3CCCC3)OCP(=O)(O)O

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2N3CCCC3)OCP(=O)(O)O

InChI

InChI=1S/C13H20N5O4P/c1-10(22-9-23(19,20)21)6-18-8-16-11-12(14-7-15-13(11)18)17-4-2-3-5-17/h7-8,10H,2-6,9H2,1H3,(H2,19,20,21)/t10-/m0/s1