N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]prop-2-enamide

Systemtic Name: N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]prop-2-enamide Openeye Name: N-[4-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]prop-2-enamide CAS Name: N-[4-[4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-propenamide IUPAC Name: N-[4-(4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]prop-2-enamide Traditional Name: N-[4-(4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]acrylamide Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3)C(=N2)N4CCOCC4

Isomeric SMILES

C=CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3)C(=N2)N4CCOCC4

InChI

InChI=1S/C18H18N6O2/c1-2-15(25)20-13-5-3-12(4-6-13)16-21-17-14(11-19-23-17)18(22-16)24-7-9-26-10-8-24/h2-6,11H,1,7-10H2,(H,20,25)(H,19,21,22,23)