7-cyclopentyl-4-ethyl-5-oxidanylidene-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid

Systemtic Name: 7-cyclopentyl-4-ethyl-5-oxidanylidene-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid Openeye Name: 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid CAS Name: 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid IUPAC Name: 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid Traditional Name: 7-cyclopentyl-4-ethyl-5-keto-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3CCCC3)N4C1=NC(=N4)C(=O)O

InChI

InChI=1S/C14H16N6O3/c1-2-19-12(21)8-11(16-9(15-8)7-5-3-4-6-7)20-14(19)17-10(18-20)13(22)23/h7H,2-6H2,1H3,(H,15,16)(H,22,23)