4-[[4-[[(2Z)-7-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[(2Z)-7-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[(2Z)-2-benzylidene-7-methyl-3-oxo-benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[(2Z)-7-methyl-3-oxo-2-(phenylmethylene)-6-benzofuranyl]oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[(2Z)-2-benzylidene-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(2Z)-2-benzal-3-keto-7-methyl-coumaran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile Formula: C27H18N4O3 MolecularWeight: 446.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3)C2=O)OC4=NC(=NC=C4)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3)/C2=O)OC4=NC(=NC=C4)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H18N4O3/c1-17-22(12-11-21-25(32)23(34-26(17)21)15-18-5-3-2-4-6-18)33-24-13-14-29-27(31-24)30-20-9-7-19(16-28)8-10-20/h2-15H,1H3,(H,29,30,31)/b23-15-