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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(O1)C(=C(C=C2)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1C(=O)C2=C(O1)C(=C(C=C2)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C

InChI

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