6-[2,8-bis(azanyl)-6-oxidanylidene-3H-purin-9-yl]hexanoic acid

Systemtic Name: 6-[2,8-bis(azanyl)-6-oxidanylidene-3H-purin-9-yl]hexanoic acid Openeye Name: 6-(2,8-diamino-6-oxo-3H-purin-9-yl)hexanoic acid CAS Name: 6-(2,8-diamino-6-oxo-3H-purin-9-yl)hexanoic acid IUPAC Name: 6-(2,8-diamino-6-oxo-3H-purin-9-yl)hexanoic acid Traditional Name: 6-(2,8-diamino-6-keto-3H-purin-9-yl)hexanoic acid Formula: C11H16N6O3 MolecularWeight: 280.28314

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CCN1C2=C(C(=O)N=C(N2)N)N=C1N

Isomeric SMILES

C(CCC(=O)O)CCN1C2=C(C(=O)N=C(N2)N)N=C1N

InChI

InChI=1S/C11H16N6O3/c12-10-15-8-7(9(20)16-10)14-11(13)17(8)5-3-1-2-4-6(18)19/h1-5H2,(H2,13,14)(H,18,19)(H3,12,15,16,20)