[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-butoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H18N5O12P3 MolecularWeight: 493.197503

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H18N5O12P3/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(1-2-16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h5-6,16H,1-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)