2-azanyl-6-(hydroxymethyl)-1H-pteridin-4-one; phosphono dihydrogen phosphate

Systemtic Name: 2-azanyl-6-(hydroxymethyl)-1H-pteridin-4-one; phosphono dihydrogen phosphate Openeye Name: 2-amino-6-(hydroxymethyl)-1H-pteridin-4-one; phosphono dihydrogen phosphate CAS Name: 2-amino-6-(hydroxymethyl)-1H-pteridin-4-one; phosphono dihydrogen phosphate IUPAC Name: 2-amino-6-(hydroxymethyl)-1H-pteridin-4-one; phosphono dihydrogen phosphate Traditional Name: 2-amino-6-methylol-1H-pteridin-4-one; phosphono dihydrogen phosphate Formula: C7H11N5O9P2 MolecularWeight: 371.137862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N5O2.H4O7P2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5;1-8(2,3)7-9(4,5)6/h1,13H,2H2,(H3,8,9,11,12,14);(H2,1,2,3)(H2,4,5,6)