ethyl 1-(2-chloranyl-2-phenyl-ethyl)-6-oxidanylidene-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-6-oxidanylidene-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-6-oxo-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-6-oxo-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-6-oxo-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-6-keto-4-(propylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=O)N=C2C1=CNN2CC(C3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCNC1=C(C(=O)N=C2C1=CNN2CC(C3=CC=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C20H23ClN4O3/c1-3-10-22-17-14-11-23-25(12-15(21)13-8-6-5-7-9-13)18(14)24-19(26)16(17)20(27)28-4-2/h5-9,11,15,22-23H,3-4,10,12H2,1-2H3