ethyl 4-(1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)thiomorpholine-3-carboxylate CAS Name: 4-[(1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carbonyl)thiomorpholine-3-carboxylate Traditional Name: 4-(1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCSCC4C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCSCC4C(=O)OCC

InChI

InChI=1S/C22H24N4O3S/c1-3-26-20-17(13-23-26)16(12-18(24-20)15-8-6-5-7-9-15)21(27)25-10-11-30-14-19(25)22(28)29-4-2/h5-9,12-13,19H,3-4,10-11,14H2,1-2H3