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

Systemtic Name: 4-[[4-[[3-(1-cyanoethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[3-(1-cyanoethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(1-cyanoethyl)-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(1-cyanoethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[3-(1-cyanoethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H16N6O MolecularWeight: 380.40204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=COC2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C#N)C1=COC2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N6O/c1-14(11-23)19-13-29-20-10-17(6-7-18(19)20)26-21-8-9-25-22(28-21)27-16-4-2-15(12-24)3-5-16/h2-10,13-14H,1H3,(H2,25,26,27,28)