7H-purin-6-amine sulfate dihydrate

Systemtic Name: 7H-purin-6-amine sulfate dihydrate Openeye Name: 7H-purin-6-amine sulfate dihydrate CAS Name: 7H-purin-6-amine sulfate dihydrate IUPAC Name: 7H-purin-6-amine sulfate dihydrate Traditional Name: 7H-adenine sulfate dihydrate Formula: C5H9N5O6S-2 MolecularWeight: 267.21986

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N.O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N.O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C5H5N5.H2O4S.2H2O/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2/p-2