[4-oxidanyl-3-(6-pyrrolidin-1-ylpurin-9-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-3-(6-pyrrolidin-1-ylpurin-9-yl)butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-3-(6-pyrrolidin-1-ylpurin-9-yl)butoxy]methylphosphonic acid CAS Name: [4-hydroxy-3-[6-(1-pyrrolidinyl)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-3-(6-pyrrolidin-1-ylpurin-9-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-3-(6-pyrrolidinopurin-9-yl)butoxy]methylphosphonic acid Formula: C14H22N5O5P MolecularWeight: 371.328741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2N=CN3C(CCOCP(=O)(O)O)CO

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2N=CN3C(CCOCP(=O)(O)O)CO

InChI

InChI=1S/C14H22N5O5P/c20-7-11(3-6-24-10-25(21,22)23)19-9-17-12-13(15-8-16-14(12)19)18-4-1-2-5-18/h8-9,11,20H,1-7,10H2,(H2,21,22,23)