N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4CC4

InChI

InChI=1S/C21H22BrN5O2/c1-11-8-14(22)6-7-16(11)24-18(28)10-23-21(29)15-9-17(13-4-5-13)25-20-19(15)12(2)26-27(20)3/h6-9,13H,4-5,10H2,1-3H3,(H,23,29)(H,24,28)