methylsulfanylmethyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: methylsulfanylmethyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: methylsulfanylmethyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(1-ethyl-4-pyrazolo[3,4-b]quinolinyl)amino]methyl]-1-cyclohexanecarboxylic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexanecarboxylic acid (methylthio)methyl ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=CC=CC=C3C(=C2C=N1)NCC4CCC(CC4)C(=O)OCSC

Isomeric SMILES

CCN1C2=NC3=CC=CC=C3C(=C2C=N1)NCC4CCC(CC4)C(=O)OCSC

InChI

InChI=1S/C22H28N4O2S/c1-3-26-21-18(13-24-26)20(17-6-4-5-7-19(17)25-21)23-12-15-8-10-16(11-9-15)22(27)28-14-29-2/h4-7,13,15-16H,3,8-12,14H2,1-2H3,(H,23,25)