4-[[4-[[3-(1H-pyrrol-3-ylmethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(1H-pyrrol-3-ylmethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[3-(1H-pyrrol-3-ylmethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(1H-pyrrol-3-ylmethyl)-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(1H-pyrrol-3-ylmethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[3-(1H-pyrrol-3-ylmethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C24H18N6O MolecularWeight: 406.43932

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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)CC5=CNC=C5

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)C(=CO4)CC5=CNC=C5

InChI

InChI=1S/C24H18N6O/c25-13-16-1-3-19(4-2-16)29-24-27-10-8-23(30-24)28-20-5-6-21-18(15-31-22(21)12-20)11-17-7-9-26-14-17/h1-10,12,14-15,26H,11H2,(H2,27,28,29,30)