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

Systemtic Name: [[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N5O13P3 MolecularWeight: 495.170323

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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)