4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)amino]benzoic acid Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(=O)O)OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(=O)O)OC4=CC=CC=C42

InChI

InChI=1S/C18H13N3O3/c1-10-19-15-13-4-2-3-5-14(13)24-16(15)17(20-10)21-12-8-6-11(7-9-12)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)