4-[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butanoic acid

Systemtic Name: 4-[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butanoic acid Openeye Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butanoic acid CAS Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]butanoic acid Traditional Name: 4-[4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]butyric acid Formula: C22H23ClN4O3 MolecularWeight: 426.89602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C22H23ClN4O3/c1-2-30-19-11-8-15(23)12-17(19)18-13-20(27-22(24)26-18)25-16-9-6-14(7-10-16)4-3-5-21(28)29/h6-13H,2-5H2,1H3,(H,28,29)(H3,24,25,26,27)