prop-2-ynyl 4-azanyl-6-methyl-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: prop-2-ynyl 4-azanyl-6-methyl-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: prop-2-ynyl 4-amino-6-methyl-1-pentyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-amino-6-methyl-1-pentyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-amino-1-amyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid propargyl ester Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=C(C(=C2C=N1)N)C(=O)OCC#C)C

Isomeric SMILES

CCCCCN1C2=NC(=C(C(=C2C=N1)N)C(=O)OCC#C)C

InChI

InChI=1S/C16H20N4O2/c1-4-6-7-8-20-15-12(10-18-20)14(17)13(11(3)19-15)16(21)22-9-5-2/h2,10H,4,6-9H2,1,3H3,(H2,17,19)