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

Systemtic Name: 4-[[4-[[3-(cyanomethyl)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[3-(cyanomethyl)benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(cyanomethyl)-6-benzofuranyl]oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(cyanomethyl)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(cyanomethyl)benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile Formula: C21H13N5O2 MolecularWeight: 367.36022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)C(=CO4)CC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)OC3=CC4=C(C=C3)C(=CO4)CC#N

InChI

InChI=1S/C21H13N5O2/c22-9-7-15-13-27-19-11-17(5-6-18(15)19)28-20-8-10-24-21(26-20)25-16-3-1-14(12-23)2-4-16/h1-6,8,10-11,13H,7H2,(H,24,25,26)