(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N6O3S/c1-13(2)28-20-16(11-23-28)15(10-18(24-20)19-8-5-9-32-19)22(30)31-12-27-21(29)14-6-3-4-7-17(14)25-26-27/h3-11,13H,12H2,1-2H3