3-[5-azanyl-2-(5-cyano-2-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxybenzoic acid

Systemtic Name: 3-[5-azanyl-2-(5-cyano-2-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxybenzoic acid Openeye Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)pyrimidin-4-yl]oxybenzoic acid CAS Name: 3-[[5-amino-2-(5-cyano-2-phenoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxyphenoxy)pyrimidin-4-yl]oxybenzoic acid Traditional Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-phenoxy-phenoxy)pyrimidin-4-yl]oxybenzoic acid Formula: C31H23N5O5 MolecularWeight: 545.54482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)OC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)O)N

InChI

InChI=1S/C31H23N5O5/c32-18-21-14-15-25(39-23-11-5-2-6-12-23)26(16-21)41-31-35-28(34-19-20-8-3-1-4-9-20)27(33)29(36-31)40-24-13-7-10-22(17-24)30(37)38/h1-17H,19,33H2,(H,37,38)(H,34,35,36)