ethyl 4-(5-chloranylthiophen-2-yl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(5-chloranylthiophen-2-yl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(5-chloro-2-thienyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(5-chloro-2-thiophenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chlorothiophen-2-yl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(5-chloro-2-thienyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=CC=C(S3)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=CC=C(S3)Cl)C(=O)OCC

InChI

InChI=1S/C16H18ClN3O2S/c1-3-5-10-14(16(21)22-4-2)13(11-6-7-12(17)23-11)9-8-18-20-15(9)19-10/h6-8,13H,3-5H2,1-2H3,(H2,18,19,20)