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

Systemtic Name: 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-(4-methylsulfonyl-1-piperazinyl)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-(4-mesylpiperazino)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H17N5O4S/c1-10-12(15(21)22)9-20-13(10)14(11(7-16)8-17-20)18-3-5-19(6-4-18)25(2,23)24/h8-9H,3-6H2,1-2H3,(H,21,22)