2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoic acid Openeye Name: 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid CAS Name: 2-[5-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-1-indolyl]acetic acid IUPAC Name: 2-[5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid Traditional Name: 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid Formula: C20H17BrN6O2 MolecularWeight: 453.29198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N(C=C4)CC(=O)O

InChI

InChI=1S/C20H17BrN6O2/c21-16-11-24-20(26-19(16)23-10-15-3-1-2-7-22-15)25-14-4-5-17-13(9-14)6-8-27(17)12-18(28)29/h1-9,11H,10,12H2,(H,28,29)(H2,23,24,25,26)