4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[2-(1-cyclohexenyl)ethylamino]-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 4-[2-(cyclohexen-1-yl)ethylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C16H19N4O2- MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NCCC3=CCCCC3)C(=O)[O-]

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NCCC3=CCCCC3)C(=O)[O-]

InChI

InChI=1S/C16H20N4O2/c1-20-15-12(10-19-20)14(13(9-18-15)16(21)22)17-8-7-11-5-3-2-4-6-11/h5,9-10H,2-4,6-8H2,1H3,(H,17,18)(H,21,22)/p-1