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

Systemtic Name: [1-[(6-aminopurin-9-yl)methyl]-2-ethyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(6-aminopurin-9-yl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(6-aminopurin-9-yl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-(adenin-9-ylmethyl)-2-ethyl-cyclopropoxy]methylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

CCC1CC1(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

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