[4-[(4-bromophenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid

Systemtic Name: [4-[(4-bromophenyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Openeye Name: [4-(4-bromoanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid CAS Name: [4-(4-bromoanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid IUPAC Name: [4-(4-bromoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Traditional Name: [4-(4-bromoanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Formula: C16H12BrN5O2 MolecularWeight: 386.20278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN5O2/c1-9-13(21-16(23)24)8-22-15(9)14(10(6-18)7-19-22)20-12-4-2-11(17)3-5-12/h2-5,7-8,20-21H,1H3,(H,23,24)