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

Systemtic Name: 4-[[4-[[3-(cyanomethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[3-(cyanomethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(cyanomethyl)-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(cyanomethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[3-(cyanomethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C21H14N6O MolecularWeight: 366.37546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)C(=CO4)CC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)C(=CO4)CC#N

InChI

InChI=1S/C21H14N6O/c22-9-7-15-13-28-19-11-17(5-6-18(15)19)25-20-8-10-24-21(27-20)26-16-3-1-14(12-23)2-4-16/h1-6,8,10-11,13H,7H2,(H2,24,25,26,27)