N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: 2-(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(1-phenyl-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyl-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: 2-[(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C20H20N6O2S/c1-12(2)18-15-10-21-26(14-7-5-4-6-8-14)19(15)20(24-23-18)29-11-17(27)22-16-9-13(3)28-25-16/h4-10,12H,11H2,1-3H3,(H,22,25,27)