[3-[6-(methylamino)purin-9-yl]cyclopentyl]oxymethylphosphonic acid

Systemtic Name: [3-[6-(methylamino)purin-9-yl]cyclopentyl]oxymethylphosphonic acid Openeye Name: [3-[6-(methylamino)purin-9-yl]cyclopentoxy]methylphosphonic acid CAS Name: [3-[6-(methylamino)-9-purinyl]cyclopentyl]oxymethylphosphonic acid IUPAC Name: [3-[6-(methylamino)purin-9-yl]cyclopentyl]oxymethylphosphonic acid Traditional Name: [3-[6-(methylamino)purin-9-yl]cyclopentoxy]methylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3CCC(C3)OCP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3CCC(C3)OCP(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c1-13-11-10-12(15-5-14-11)17(6-16-10)8-2-3-9(4-8)21-7-22(18,19)20/h5-6,8-9H,2-4,7H2,1H3,(H,13,14,15)(H2,18,19,20)