[[[5-(2-azanyl-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[[5-(2-azanyl-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[[5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: [[[5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[[5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: [[[5-(2-amino-6-keto-7-methyl-3H-purin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C11H15N5O13P3-3 MolecularWeight: 518.183783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3CC(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3CC(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O

InChI

InChI=1S/C11H18N5O13P3/c1-15-4-16(9-8(15)10(18)14-11(12)13-9)7-2-5(17)6(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-7,17H,2-3H2,1H3,(H6-,12,13,14,18,19,20,21,22,23,24,25)/p-3