2-[[2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(benzylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(benzylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(benzylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N4O2/c23-17(24)14-8-4-5-9-15(14)21-16-10-11-19-18(22-16)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,23,24)(H2,19,20,21,22)