methyl 5-bromanyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 5-bromo-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate CAS Name: 5-bromo-2-[[oxo-(1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate Traditional Name: 5-bromo-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoic acid methyl ester Formula: C18H17BrN4O3 MolecularWeight: 417.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=C(C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=C(C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C18H17BrN4O3/c1-9-7-13(15-10(2)22-23(3)16(15)20-9)17(24)21-14-6-5-11(19)8-12(14)18(25)26-4/h5-8H,1-4H3,(H,21,24)