ethyl 4-[(4-bromophenyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-[(4-bromophenyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(4-bromoanilino)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(4-bromoanilino)-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromoanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(4-bromoanilino)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C17H17BrN4O2 MolecularWeight: 389.24648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)Br)C(=NN2C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)Br)C(=NN2C)C

InChI

InChI=1S/C17H17BrN4O2/c1-4-24-17(23)13-9-19-16-14(10(2)21-22(16)3)15(13)20-12-7-5-11(18)6-8-12/h5-9H,4H2,1-3H3,(H,19,20)