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

Systemtic Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(1H-pyrrolo[2,3-b]pyridin-4-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=C4C=CNC4=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CNC4=NC=C3

InChI

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