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

Systemtic Name: propan-2-yl 7-tert-butyl-4-ethyl-5-oxidanylidene-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate Openeye Name: isopropyl 7-tert-butyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate CAS Name: 7-tert-butyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-tert-butyl-4-ethyl-5-oxo-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylate Traditional Name: 7-tert-butyl-4-ethyl-5-keto-6H-[1,2,4]triazolo[5,1-b]purine-2-carboxylic acid isopropyl ester Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N3C1=NC(=N3)C(=O)OC(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N3C1=NC(=N3)C(=O)OC(C)C

InChI

InChI=1S/C16H22N6O3/c1-7-21-12(23)9-11(19-14(17-9)16(4,5)6)22-15(21)18-10(20-22)13(24)25-8(2)3/h8H,7H2,1-6H3,(H,17,19)