tetrasodium; phosphonato phosphate; 7H-purin-6-amine

Systemtic Name: tetrasodium; phosphonato phosphate; 7H-purin-6-amine Openeye Name: tetrasodium; phosphonato phosphate; 7H-purin-6-amine CAS Name: tetrasodium; phosphonato phosphate; 7H-purin-6-amine IUPAC Name: tetrasodium; phosphonato phosphate; 7H-purin-6-amine Traditional Name: tetrasodium; 7H-adenine; phosphonato phosphate Formula: C5H5N5Na4O7P2 MolecularWeight: 401.029102

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H5N5.4Na.H4O7P2/c6-4-3-5(9-1-7-3)10-2-8-4;;;;;1-8(2,3)7-9(4,5)6/h1-2H,(H3,6,7,8,9,10);;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4