[3-[2,6-bis(azanyl)purin-9-yl]-2-(phosphonomethoxy)propyl]-trimethyl-azanium

Systemtic Name: [3-[2,6-bis(azanyl)purin-9-yl]-2-(phosphonomethoxy)propyl]-trimethyl-azanium Openeye Name: [3-(2,6-diaminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-ammonium CAS Name: [3-(2,6-diamino-9-purinyl)-2-(phosphonomethoxy)propyl]-trimethylammonium IUPAC Name: [3-(2,6-diaminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylazanium Traditional Name: [3-(2,6-diaminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-ammonium Formula: C12H23N7O4P+ MolecularWeight: 360.329281

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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)/p+1