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

Systemtic Name: [1-(6-aminopurin-9-yl)-3-(trimethylazaniumyl)propan-2-yl]oxymethyl-oxidanyl-phosphinate Openeye Name: [1-[(6-aminopurin-9-yl)methyl]-2-(trimethylammonio)ethoxy]methyl-hydroxy-phosphinate CAS Name: [1-(6-aminopurin-9-yl)-3-(trimethylammonio)propan-2-yl]oxymethyl-hydroxyphosphinate IUPAC Name: [1-(6-aminopurin-9-yl)-3-(trimethylazaniumyl)propan-2-yl]oxymethyl-hydroxyphosphinate Traditional Name: [1-(adenin-9-ylmethyl)-2-(trimethylammonio)ethoxy]methyl-hydroxy-phosphinate Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)[O-]

Isomeric SMILES

C[N+](C)(C)CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)[O-]

InChI

InChI=1S/C12H21N6O4P/c1-18(2,3)5-9(22-8-23(19,20)21)4-17-7-16-10-11(13)14-6-15-12(10)17/h6-7,9H,4-5,8H2,1-3H3,(H3-,13,14,15,19,20,21)