2,3,4,5,6-pentakis(oxidanyl)hexanal; 7H-purin-6-amine

Systemtic Name: 2,3,4,5,6-pentakis(oxidanyl)hexanal; 7H-purin-6-amine Openeye Name: 2,3,4,5,6-pentahydroxyhexanal; 7H-purin-6-amine CAS Name: 2,3,4,5,6-pentahydroxyhexanal; 7H-purin-6-amine IUPAC Name: 2,3,4,5,6-pentahydroxyhexanal; 7H-purin-6-amine Traditional Name: 7H-adenine; 2,3,4,5,6-pentahydroxyhexanal Formula: C11H17N5O6 MolecularWeight: 315.28258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O6.C5H5N5/c7-1-3(9)5(11)6(12)4(10)2-8;6-4-3-5(9-1-7-3)10-2-8-4/h1,3-6,8-12H,2H2;1-2H,(H3,6,7,8,9,10)