[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-propyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-propylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-propyl-cyclopropoxy]methylphosphonic acid Formula: C13H20N5O5P MolecularWeight: 357.302161

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

CCCC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C13H20N5O5P/c1-2-3-8-4-13(8,23-7-24(20,21)22)5-18-6-15-9-10(18)16-12(14)17-11(9)19/h6,8H,2-5,7H2,1H3,(H2,20,21,22)(H3,14,16,17,19)