(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C26H31N7O2S MolecularWeight: 505.63504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)N3CCCN(CC3)CC4=NOC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)N3CCCN(CC3)CC4=NOC(=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H31N7O2S/c1-17(2)36-23-20(15-27-24-22(23)18(3)29-31(24)4)26(34)33-12-8-11-32(13-14-33)16-21-28-25(35-30-21)19-9-6-5-7-10-19/h5-7,9-10,15,17H,8,11-14,16H2,1-4H3