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

Systemtic Name: [1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-ethyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid Formula: C12H18N5O5P MolecularWeight: 343.275581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

Isomeric SMILES

CCC1CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C12H18N5O5P/c1-2-7-3-12(7,22-6-23(19,20)21)4-17-5-14-8-9(17)15-11(13)16-10(8)18/h5,7H,2-4,6H2,1H3,(H2,19,20,21)(H3,13,15,16,18)