3-[(1S)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-phenylmethoxy-ethoxy]propylphosphonic acid

Systemtic Name: 3-[(1S)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-phenylmethoxy-ethoxy]propylphosphonic acid Openeye Name: 3-[(1S)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-benzyloxy-ethoxy]propylphosphonic acid CAS Name: 3-[(1S)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-phenylmethoxyethoxy]propylphosphonic acid IUPAC Name: 3-[(1S)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-phenylmethoxyethoxy]propylphosphonic acid Traditional Name: 3-[(1S)-1-(2-amino-6-keto-3H-purin-9-yl)-2-benzoxy-ethoxy]propylphosphonic acid Formula: C17H22N5O6P MolecularWeight: 423.360241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(N2C=NC3=C2NC(=NC3=O)N)OCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](N2C=NC3=C2NC(=NC3=O)N)OCCCP(=O)(O)O

InChI

InChI=1S/C17H22N5O6P/c18-17-20-15-14(16(23)21-17)19-11-22(15)13(28-7-4-8-29(24,25)26)10-27-9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H2,24,25,26)(H3,18,20,21,23)/t13-/m0/s1