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

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-azanium Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-ammonium CAS Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylammonium IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylazanium Traditional Name: [3-(2-amino-6-keto-3H-purin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-ammonium Formula: C12H22N6O5P+ MolecularWeight: 361.314041

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

Isomeric SMILES

C[N+](C)(C)CC(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)O

InChI

InChI=1S/C12H21N6O5P/c1-18(2,3)5-8(23-7-24(20,21)22)4-17-6-14-9-10(17)15-12(13)16-11(9)19/h6,8H,4-5,7H2,1-3H3,(H4-,13,15,16,19,20,21,22)/p+1