ethyl 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-methyl-4-(4-methylsulfonyl-1-piperazinyl)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-cyano-4-(4-mesylpiperazino)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N5O4S/c1-4-26-17(23)14-11-22-15(12(14)2)16(13(9-18)10-19-22)20-5-7-21(8-6-20)27(3,24)25/h10-11H,4-8H2,1-3H3