4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylcarbamoylamino]-2-propan-2-yloxy-benzoic acid

Systemtic Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylcarbamoylamino]-2-propan-2-yloxy-benzoic acid Openeye Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]-2-isopropoxy-benzoic acid CAS Name: 4-[[[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-oxomethyl]amino]-2-propan-2-yloxybenzoic acid IUPAC Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]-2-propan-2-yloxybenzoic acid Traditional Name: 4-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)carbamoylamino]-2-isopropoxy-benzoic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC(=C(C=C3)C(=O)O)OC(C)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC(=C(C=C3)C(=O)O)OC(C)C)C

InChI

InChI=1S/C20H21N5O5/c1-10(2)30-16-8-13(5-6-14(16)19(27)28)22-20(29)23-18(26)12-7-15-11(3)24-25(4)17(15)21-9-12/h5-10H,1-4H3,(H,27,28)(H2,22,23,26,29)