2-azanyl-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate

Systemtic Name: 2-azanyl-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate Openeye Name: 2-amino-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate CAS Name: 2-amino-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate IUPAC Name: 2-amino-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate Traditional Name: 2-amino-3,7-dihydropurin-6-one; diphosphono hydrogen phosphate Formula: C5H10N5O11P3 MolecularWeight: 409.081083

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N=C(N2)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)N=C(N2)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C5H5N5O.H5O10P3/c6-5-9-3-2(4(11)10-5)7-1-8-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H,(H4,6,7,8,9,10,11);(H,7,8)(H2,1,2,3)(H2,4,5,6)