methyl 5-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[3,4-d]pyridazin-6-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-cyclopropyl-7-keto-1-(o-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC4=CC=C(O4)C(=O)OC)C5CC5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC4=CC=C(O4)C(=O)OC)C5CC5

InChI

InChI=1S/C22H20N4O4/c1-13-5-3-4-6-17(13)26-20-16(11-23-26)19(14-7-8-14)24-25(21(20)27)12-15-9-10-18(30-15)22(28)29-2/h3-6,9-11,14H,7-8,12H2,1-2H3