6-[2-[[3-(4-ethyl-2-oxidanylidene-piperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

Systemtic Name: 6-[2-[[3-(4-ethyl-2-oxidanylidene-piperazin-1-yl)phenyl]amino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide Openeye Name: 6-[2-[3-(4-ethyl-2-oxo-piperazin-1-yl)anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-benzofuran-3-carboxamide CAS Name: 6-[[2-[3-(4-ethyl-2-oxo-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]-N,2-dimethyl-3-benzofurancarboxamide IUPAC Name: 6-[2-[3-(4-ethyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide Traditional Name: 6-[2-[3-(4-ethyl-2-keto-piperazino)anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-benzofuran-3-carboxamide Formula: C27H28N6O4 MolecularWeight: 500.54902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1)C2=CC(=CC=C2)NC3=NC=CC(=N3)OC4=CC5=C(C=C4)C(=C(O5)C)C(=O)NC

Isomeric SMILES

CCN1CCN(C(=O)C1)C2=CC(=CC=C2)NC3=NC=CC(=N3)OC4=CC5=C(C=C4)C(=C(O5)C)C(=O)NC

InChI

InChI=1S/C27H28N6O4/c1-4-32-12-13-33(24(34)16-32)19-7-5-6-18(14-19)30-27-29-11-10-23(31-27)37-20-8-9-21-22(15-20)36-17(2)25(21)26(35)28-3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,28,35)(H,29,30,31)