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

Systemtic Name: 4-[3-(2-azanyl-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide Openeye Name: 4-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide CAS Name: 4-[3-(2-amino-6-ethyl-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide IUPAC Name: 4-[3-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide Traditional Name: 4-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O/c1-2-14-8-17(26-20(22)25-14)16-10-24-19-15(16)7-13(9-23-19)11-3-5-12(6-4-11)18(21)27/h3-10H,2H2,1H3,(H2,21,27)(H,23,24)(H2,22,25,26)