[1-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-1-methoxy-3-oxidanyl-propan-2-yl]phosphonic acid

Systemtic Name: [1-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-1-methoxy-3-oxidanyl-propan-2-yl]phosphonic acid Openeye Name: [2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-1-(hydroxymethyl)-2-methoxy-ethyl]phosphonic acid CAS Name: [1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-3-hydroxy-1-methoxypropan-2-yl]phosphonic acid IUPAC Name: [1-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-3-hydroxy-1-methoxypropan-2-yl]phosphonic acid Traditional Name: [2-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-2-methoxy-1-methylol-ethyl]phosphonic acid Formula: C9H16N5O6P MolecularWeight: 321.227001

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CO)P(=O)(O)O)N1CNC2=C1NC(=NC2=O)N

Isomeric SMILES

COC(C(CO)P(=O)(O)O)N1CNC2=C1NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O6P/c1-20-8(4(2-15)21(17,18)19)14-3-11-5-6(14)12-9(10)13-7(5)16/h4,8,11,15H,2-3H2,1H3,(H2,17,18,19)(H3,10,12,13,16)