ethyl 4-[(1-methyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate

Systemtic Name: ethyl 4-[(1-methyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate Openeye Name: ethyl 4-[(1-methyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate CAS Name: 4-[[1-methyl-4-(4-morpholinyl)-6-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoate Traditional Name: 4-[(1-methyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid ethyl ester Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)N4CCOCC4

InChI

InChI=1S/C19H22N6O3/c1-3-28-18(26)13-4-6-14(7-5-13)21-19-22-16-15(12-20-24(16)2)17(23-19)25-8-10-27-11-9-25/h4-7,12H,3,8-11H2,1-2H3,(H,21,22,23)