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

Systemtic Name: 4-[[4-[[3-(cyanomethyl)-2-methyl-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[3-(cyanomethyl)-2-methyl-benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(cyanomethyl)-2-methyl-6-benzofuranyl]oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(cyanomethyl)-2-methyl-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(cyanomethyl)-2-methyl-benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile Formula: C22H15N5O2 MolecularWeight: 381.3868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=C(C=C2)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)CC#N

Isomeric SMILES

CC1=C(C2=C(O1)C=C(C=C2)OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)CC#N

InChI

InChI=1S/C22H15N5O2/c1-14-18(8-10-23)19-7-6-17(12-20(19)28-14)29-21-9-11-25-22(27-21)26-16-4-2-15(13-24)3-5-16/h2-7,9,11-12H,8H2,1H3,(H,25,26,27)