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

Systemtic Name: 4-[[4-[(5,7-dimethyl-3-oxidanylidene-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(5,7-dimethyl-3-oxo-benzofuran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(5,7-dimethyl-3-oxo-6-benzofuranyl)oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(5,7-dimethyl-3-oxo-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-keto-5,7-dimethyl-coumaran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)CO2)C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)CO2)C)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N4O3/c1-12-9-16-17(26)11-27-20(16)13(2)19(12)28-18-7-8-23-21(25-18)24-15-5-3-14(10-22)4-6-15/h3-9H,11H2,1-2H3,(H,23,24,25)