3-[3-(2-azanyl-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(2-azanyl-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenecarbonitrile Openeye Name: 3-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile CAS Name: 3-[3-(2-amino-6-ethyl-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile IUPAC Name: 3-[3-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile Traditional Name: 3-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile Formula: C20H16N6 MolecularWeight: 340.38124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1)C2=CNC3=NC=C(C=C23)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

CCC1=NC(=NC(=C1)C2=CNC3=NC=C(C=C23)C4=CC=CC(=C4)C#N)N

InChI

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