[(2R)-1-(3-aminocarbonylpyridin-1-ium-1-yl)-3-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphinate

Systemtic Name: [(2R)-1-(3-aminocarbonylpyridin-1-ium-1-yl)-3-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphinate Openeye Name: [(1R)-1-[(6-aminopurin-9-yl)methyl]-2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]methyl-hydroxy-phosphinate CAS Name: [(2R)-1-(6-aminopurin-9-yl)-3-(3-carbamoyl-1-pyridin-1-iumyl)propan-2-yl]oxymethyl-hydroxyphosphinate IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)-3-(3-carbamoylpyridin-1-ium-1-yl)propan-2-yl]oxymethyl-hydroxyphosphinate Traditional Name: [(1R)-1-(adenin-9-ylmethyl)-2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]methyl-hydroxy-phosphinate Formula: C15H18N7O5P MolecularWeight: 407.321081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C[C@@H](CN2C=NC3=C2N=CN=C3N)OCP(=O)(O)[O-])C(=O)N

InChI

InChI=1S/C15H18N7O5P/c16-13-12-15(19-7-18-13)22(8-20-12)6-11(27-9-28(24,25)26)5-21-3-1-2-10(4-21)14(17)23/h1-4,7-8,11H,5-6,9H2,(H5-,16,17,18,19,23,24,25,26)/t11-/m0/s1