3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propanoic acid CAS Name: 3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]amino]propionic acid Formula: C18H16ClN5O2 MolecularWeight: 369.80494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCC(=O)O

InChI

InChI=1S/C18H16ClN5O2/c19-13-2-1-3-14(11-13)23-18-22-8-5-15(24-18)12-4-7-20-16(10-12)21-9-6-17(25)26/h1-5,7-8,10-11H,6,9H2,(H,20,21)(H,25,26)(H,22,23,24)