[1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-1,3-diphosphonooxy-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)-1,3-diphosphonooxy-propan-2-yl] dihydrogen phosphate Openeye Name: [1-(2-amino-4-oxo-1H-pteridin-6-yl)-2,3-diphosphonooxy-propyl] dihydrogen phosphate CAS Name: [1-(2-amino-4-oxo-1H-pteridin-6-yl)-1,3-diphosphonooxypropan-2-yl] dihydrogen phosphate IUPAC Name: [1-(2-amino-4-oxo-1H-pteridin-6-yl)-1,3-diphosphonooxypropan-2-yl] dihydrogen phosphate Traditional Name: [1-(2-amino-4-keto-1H-pteridin-6-yl)-2,3-diphosphonooxy-propyl] dihydrogen phosphate Formula: C9H14N5O13P3 MolecularWeight: 493.154443

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H14N5O13P3/c10-9-13-7-5(8(15)14-9)12-3(1-11-7)6(27-30(22,23)24)4(26-29(19,20)21)2-25-28(16,17)18/h1,4,6H,2H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H3,10,11,13,14,15)