7H-purin-6-amine; [3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate

Systemtic Name: 7H-purin-6-amine; [3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate Openeye Name: 7H-purin-6-amine; (3,4,5-trihydroxytetrahydropyran-2-yl) dihydrogen phosphate CAS Name: 7H-purin-6-amine; (3,4,5-trihydroxy-2-oxanyl) dihydrogen phosphate IUPAC Name: 7H-purin-6-amine; (3,4,5-trihydroxyoxan-2-yl) dihydrogen phosphate Traditional Name: 7H-adenine; (3,4,5-trihydroxytetrahydropyran-2-yl) dihydrogen phosphate Formula: C10H16N5O8P MolecularWeight: 365.236501

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)OP(=O)(O)O)O)O)O.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1C(C(C(C(O1)OP(=O)(O)O)O)O)O.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C5H5N5.C5H11O8P/c6-4-3-5(9-1-7-3)10-2-8-4;6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h1-2H,(H3,6,7,8,9,10);2-8H,1H2,(H2,9,10,11)