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

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

CCOC(=O)C1CSCCN1C(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CC=C4

InChI

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