3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid

Systemtic Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid Openeye Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid CAS Name: 3-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]benzoic acid IUPAC Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid Traditional Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)O)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)O)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H17N5O2/c1-13(14-5-4-6-15(11-14)19(26)27)23-20-21-10-9-18(24-20)25-12-22-16-7-2-3-8-17(16)25/h2-13H,1H3,(H,26,27)(H,21,23,24)