4-[1-[2-[4-(6-azanylpyridin-2-yl)phenoxy]pyrimidin-4-yl]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[1-[2-[4-(6-azanylpyridin-2-yl)phenoxy]pyrimidin-4-yl]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[1-[2-[4-(6-amino-2-pyridyl)phenoxy]pyrimidin-4-yl]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[1-[2-[4-(6-amino-2-pyridinyl)phenoxy]-4-pyrimidinyl]-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 4-[1-[2-[4-(6-aminopyridin-2-yl)phenoxy]pyrimidin-4-yl]-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 4-[1-[2-[4-(6-amino-2-pyridyl)phenoxy]pyrimidin-4-yl]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C25H20N4O5 MolecularWeight: 456.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)N)C2=CC=C(C=C2)OC3=NC=CC(=N3)C(CC(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=NC(=C1)N)C2=CC=C(C=C2)OC3=NC=CC(=N3)C(CC(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N4O5/c26-22-3-1-2-20(28-22)16-8-10-18(11-9-16)34-25-27-13-12-21(29-25)19(14-23(30)31)15-4-6-17(7-5-15)24(32)33/h1-13,19H,14H2,(H2,26,28)(H,30,31)(H,32,33)