[1-[2,6-bis(azanyl)purin-9-yl]-3-(trimethylazaniumyl)propan-2-yl]oxymethyl-oxidanyl-phosphinate

Systemtic Name: [1-[2,6-bis(azanyl)purin-9-yl]-3-(trimethylazaniumyl)propan-2-yl]oxymethyl-oxidanyl-phosphinate Openeye Name: [1-[(2,6-diaminopurin-9-yl)methyl]-2-(trimethylammonio)ethoxy]methyl-hydroxy-phosphinate CAS Name: [1-(2,6-diamino-9-purinyl)-3-(trimethylammonio)propan-2-yl]oxymethyl-hydroxyphosphinate IUPAC Name: [1-(2,6-diaminopurin-9-yl)-3-(trimethylazaniumyl)propan-2-yl]oxymethyl-hydroxyphosphinate Traditional Name: [1-[(2,6-diaminopurin-9-yl)methyl]-2-(trimethylammonio)ethoxy]methyl-hydroxy-phosphinate Formula: C12H22N7O4P MolecularWeight: 359.321341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N7O4P/c1-19(2,3)5-8(23-7-24(20,21)22)4-18-6-15-9-10(13)16-12(14)17-11(9)18/h6,8H,4-5,7H2,1-3H3,(H5-,13,14,16,17,20,21,22)