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

Systemtic Name: 4-[[4-[(2-methyl-3-oxidanylidene-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-3-oxo-benzofuran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(2-methyl-3-oxo-6-benzofuranyl)oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(2-methyl-3-oxo-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-keto-2-methyl-coumaran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile Formula: C20H14N4O3 MolecularWeight: 358.35016

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O3/c1-12-19(25)16-7-6-15(10-17(16)26-12)27-18-8-9-22-20(24-18)23-14-4-2-13(11-21)3-5-14/h2-10,12H,1H3,(H,22,23,24)