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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-isopropyl-acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC(C)C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NC(C)C)C(C)C)C

InChI

InChI=1S/C21H27N5OS/c1-12(2)19-17-10-22-26(16-8-7-14(5)15(6)9-16)20(17)21(25-24-19)28-11-18(27)23-13(3)4/h7-10,12-13H,11H2,1-6H3,(H,23,27)