1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxylic acid CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboxylic acid Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C(=O)O

InChI

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