methyl 7-[(1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]heptanoate CAS Name: 7-[[(1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]heptanoate Traditional Name: 7-[[1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]enanthic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCCCCCCC(=O)OC)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCCCCCCC(=O)OC)C

InChI

InChI=1S/C21H26N4O3S/c1-14-19-15(21(27)22-11-7-5-4-6-10-18(26)28-3)13-16(17-9-8-12-29-17)23-20(19)25(2)24-14/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,22,27)