3-methoxy-N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]benzamide

Systemtic Name: 3-methoxy-N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]benzamide Openeye Name: 3-methoxy-N-[4-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]benzamide CAS Name: 3-methoxy-N-[4-[4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]benzamide IUPAC Name: 3-methoxy-N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]benzamide Traditional Name: 3-methoxy-N-[4-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]benzamide Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)N5CCOCC5

InChI

InChI=1S/C23H22N6O3/c1-31-18-4-2-3-16(13-18)23(30)25-17-7-5-15(6-8-17)20-26-21-19(14-24-28-21)22(27-20)29-9-11-32-12-10-29/h2-8,13-14H,9-12H2,1H3,(H,25,30)(H,24,26,27,28)