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

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

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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(=O)N

Isomeric SMILES

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

InChI

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