tert-butyl 7-cyclopentyl-4-ethyl-5-oxidanylidene-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate

Systemtic Name: tert-butyl 7-cyclopentyl-4-ethyl-5-oxidanylidene-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate Openeye Name: tert-butyl 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate CAS Name: 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-cyclopentyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate Traditional Name: 7-cyclopentyl-4-ethyl-5-keto-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid tert-butyl ester Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3/c1-5-23-15(25)11-14(20-12(19-11)10-8-6-7-9-10)24-17(23)21-13(22-24)16(26)27-18(2,3)4/h10H,5-9H2,1-4H3,(H,19,20)