2-azanyl-6-[1,2,3-tris(oxidanyl)propyl]-1H-pteridin-4-one; phosphoric acid

Systemtic Name: 2-azanyl-6-[1,2,3-tris(oxidanyl)propyl]-1H-pteridin-4-one; phosphoric acid Openeye Name: 2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one; phosphoric acid CAS Name: 2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one; phosphoric acid IUPAC Name: 2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one; phosphoric acid Traditional Name: 2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one; phosphoric acid Formula: C9H20N5O16P3 MolecularWeight: 547.200283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O4.3H3O4P/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15;3*1-5(2,3)4/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18);3*(H3,1,2,3,4)