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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O)C

Isomeric SMILES

CC1(CC1(CN2C=NC3=C2NC(=NC3=O)N)OCP(=O)(O)O)C

InChI

InChI=1S/C12H18N5O5P/c1-11(2)3-12(11,22-6-23(19,20)21)4-17-5-14-7-8(17)15-10(13)16-9(7)18/h5H,3-4,6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)