ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CNC4=C3C=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CNC4=C3C=CC=N4

InChI

InChI=1S/C20H17N5O2/c1-2-27-19(26)13-5-7-14(8-6-13)24-20-22-11-9-17(25-20)16-12-23-18-15(16)4-3-10-21-18/h3-12H,2H2,1H3,(H,21,23)(H,22,24,25)