methyl 4-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoic acid methyl ester Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C22H26N6O3S/c1-31-21(30)16-8-6-15(7-9-16)20(29)23-10-13-28-19-17(14-24-28)18(25-22(26-19)32-2)27-11-4-3-5-12-27/h6-9,14H,3-5,10-13H2,1-2H3,(H,23,29)