[1-[(6-aminopurin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[(6-aminopurin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)methyl]-2-propyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(6-aminopurin-9-yl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(6-aminopurin-9-yl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-(adenin-9-ylmethyl)-2-propyl-cyclopropoxy]methylphosphonic acid Formula: C13H20N5O4P MolecularWeight: 341.302761

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC1(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

CCCC1CC1(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C13H20N5O4P/c1-2-3-9-4-13(9,22-8-23(19,20)21)5-18-7-17-10-11(14)15-6-16-12(10)18/h6-7,9H,2-5,8H2,1H3,(H2,14,15,16)(H2,19,20,21)