[[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: [[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropoxy]-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropoxy]-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: [[[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C9H12N5O13P3-4 MolecularWeight: 491.138563

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CO)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COC(CO)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/p-4