3-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(1-ethyl-3-pyrrolo[2,3-b]pyridinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C20H16N6 MolecularWeight: 340.38124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1N=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CCN1C=C(C2=C1N=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H16N6/c1-2-26-13-17(16-7-4-9-22-19(16)26)18-8-10-23-20(25-18)24-15-6-3-5-14(11-15)12-21/h3-11,13H,2H2,1H3,(H,23,24,25)