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

Systemtic Name: 3-azanyl-5-[3-(2-azanyl-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid Openeye Name: 3-amino-5-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid CAS Name: 3-amino-5-[3-(2-amino-6-ethyl-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid IUPAC Name: 3-amino-5-[3-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid Traditional Name: 3-amino-5-[3-(2-amino-6-ethyl-pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2/c1-2-14-7-17(26-20(22)25-14)16-9-24-18-15(16)6-12(8-23-18)10-3-11(19(27)28)5-13(21)4-10/h3-9H,2,21H2,1H3,(H,23,24)(H,27,28)(H2,22,25,26)