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

Systemtic Name: 3-cyano-5-methyl-4-[(4-oxidanylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[(4-hydroxycyclohexyl)amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[(4-hydroxycyclohexyl)amino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[(4-hydroxycyclohexyl)amino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-[(4-hydroxycyclohexyl)amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCC(CC3)O

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCC(CC3)O

InChI

InChI=1S/C16H18N4O3/c1-9-13(16(22)23)8-20-15(9)14(10(6-17)7-18-20)19-11-2-4-12(21)5-3-11/h7-8,11-12,19,21H,2-5H2,1H3,(H,22,23)