methyl 4-[6-(4-aminophenyl)-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[6-(4-aminophenyl)-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[6-(4-aminophenyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[6-(4-aminophenyl)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(4-aminophenyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)N)N5CCOCC5

Isomeric SMILES

COC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)N)N5CCOCC5

InChI

InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3