pyrimidine-4,5,6-triamine sulfate hydrate

Systemtic Name: pyrimidine-4,5,6-triamine sulfate hydrate Openeye Name: pyrimidine-4,5,6-triamine sulfate hydrate CAS Name: pyrimidine-4,5,6-triamine sulfate hydrate IUPAC Name: pyrimidine-4,5,6-triamine sulfate hydrate Traditional Name: (4,6-diaminopyrimidin-5-yl)amine sulfate hydrate Formula: C4H9N5O5S-2 MolecularWeight: 239.20976

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(C(=N1)N)N)N.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=NC(=C(C(=N1)N)N)N.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C4H7N5.H2O4S.H2O/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4;/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4);1H2/p-2