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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-morpholino-ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)N4CCOCC4)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)N4CCOCC4)C(C)C)C

InChI

InChI=1S/C22H27N5O2S/c1-14(2)20-18-12-23-27(17-6-5-15(3)16(4)11-17)21(18)22(25-24-20)30-13-19(28)26-7-9-29-10-8-26/h5-6,11-12,14H,7-10,13H2,1-4H3