[5-(2-azanyl-7-methyl-6-oxidanylidene-3,8-dihydropurin-9-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate

Systemtic Name: [5-(2-azanyl-7-methyl-6-oxidanylidene-3,8-dihydropurin-9-yl)-4-oxidanyl-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [5-(2-amino-6-keto-7-methyl-3,8-dihydropurin-9-yl)-4-hydroxy-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C11H15N5O11P2-4 MolecularWeight: 455.211222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O

Isomeric SMILES

CN1CN(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O

InChI

InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(18)14-11(12)13-8)10-6(17)7(27-29(22,23)24)4(26-10)2-25-28(19,20)21/h4,6-7,10,17H,2-3H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,12,13,14,18)/p-4