2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(4-methylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(4-methylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-pyrrolidino-ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)N4CCCC4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)N4CCCC4)C(C)C

InChI

InChI=1S/C21H25N5OS/c1-14(2)19-17-12-22-26(16-8-6-15(3)7-9-16)20(17)21(24-23-19)28-13-18(27)25-10-4-5-11-25/h6-9,12,14H,4-5,10-11,13H2,1-3H3