4-[[4-[(2,5,7-trimethyl-3-oxidanylidene-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2,5,7-trimethyl-3-oxidanylidene-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,5,7-trimethyl-3-oxo-benzofuran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(2,5,7-trimethyl-3-oxo-6-benzofuranyl)oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(2,5,7-trimethyl-3-oxo-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-keto-2,5,7-trimethyl-coumaran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=CC(=C(C(=C2O1)C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1C(=O)C2=CC(=C(C(=C2O1)C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C22H18N4O3/c1-12-10-17-19(27)14(3)28-21(17)13(2)20(12)29-18-8-9-24-22(26-18)25-16-6-4-15(11-23)5-7-16/h4-10,14H,1-3H3,(H,24,25,26)