4-[[6-(4-bromanylphenoxy)pyridin-3-yl]amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 4-[[6-(4-bromanylphenoxy)pyridin-3-yl]amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-[[6-(4-bromophenoxy)-3-pyridyl]amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-[[6-(4-bromophenoxy)-3-pyridinyl]amino]-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-[[6-(4-bromophenoxy)pyridin-3-yl]amino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-[[6-(4-bromophenoxy)-3-pyridyl]amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C21H14BrN5O3 MolecularWeight: 464.27156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CN=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CN=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN5O3/c1-12-17(21(28)29)11-27-20(12)19(13(8-23)9-25-27)26-15-4-7-18(24-10-15)30-16-5-2-14(22)3-6-16/h2-7,9-11,26H,1H3,(H,28,29)