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

Systemtic Name: N-cyclopentyl-2-(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[(1-phenyl-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-cyclopentyl-2-(1-phenyl-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-cyclopentyl-2-[(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4CCCC4

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4CCCC4

InChI

InChI=1S/C21H25N5OS/c1-14(2)19-17-12-22-26(16-10-4-3-5-11-16)20(17)21(25-24-19)28-13-18(27)23-15-8-6-7-9-15/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,23,27)