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

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethoxy-[[1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl]phosphinate Openeye Name: [1-[(6-aminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate CAS Name: [1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethoxy]phosphinate IUPAC Name: [1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate Traditional Name: [1-(adenin-9-ylmethyl)-2-hydroxy-ethoxy]methyl-[2-(3-carbamoylpyridin-1-ium-1-yl)ethoxy]phosphinate Formula: C17H22N7O6P MolecularWeight: 451.373641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N7O6P/c18-15-14-17(21-9-20-15)24(10-22-14)7-13(8-25)29-11-31(27,28)30-5-4-23-3-1-2-12(6-23)16(19)26/h1-3,6,9-10,13,25H,4-5,7-8,11H2,(H4-,18,19,20,21,26,27,28)