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

Systemtic Name: 3-cyano-5-methyl-4-[(4-pyrimidin-2-yloxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-(4-pyrimidin-2-yloxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-[4-(2-pyrimidinyloxy)anilino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-pyrimidin-2-yloxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-[4-(2-pyrimidyloxy)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C20H14N6O3 MolecularWeight: 386.36356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H14N6O3/c1-12-16(19(27)28)11-26-18(12)17(13(9-21)10-24-26)25-14-3-5-15(6-4-14)29-20-22-7-2-8-23-20/h2-8,10-11,25H,1H3,(H,27,28)