ethyl 1-(3-azanyl-3-sulfanylidene-propyl)-6-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: ethyl 1-(3-azanyl-3-sulfanylidene-propyl)-6-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: ethyl 1-(3-amino-3-thioxo-propyl)-6-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(3-amino-3-sulfanylidenepropyl)-6-(4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-amino-3-sulfanylidenepropyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(3-amino-3-thioxo-propyl)-6-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC(=S)N)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC(=S)N)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-4-27-20(25)15-11-16(13-5-7-14(26-3)8-6-13)22-19-18(15)12(2)23-24(19)10-9-17(21)28/h5-8,11H,4,9-10H2,1-3H3,(H2,21,28)