(E)-4-oxidanylidene-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]but-2-enoic acid Openeye Name: (E)-4-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]but-2-enoic acid Traditional Name: (E)-4-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)amino]-4-keto-but-2-enoic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H14N4O3/c1-8(2)17-13-9(6-15-17)5-10(7-14-13)16-11(18)3-4-12(19)20/h3-8H,1-2H3,(H,16,18)(H,19,20)/b4-3+