methyl 6-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]hexanoate CAS Name: 6-[[[1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]hexanoate Traditional Name: 6-[[4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl]amino]hexanoic acid methyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCCCCCC(=O)OC)C

InChI

InChI=1S/C19H28N4O3S/c1-12(2)27-17-14(11-21-18-16(17)13(3)22-23(18)4)19(25)20-10-8-6-7-9-15(24)26-5/h11-12H,6-10H2,1-5H3,(H,20,25)