2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoic acid

Systemtic Name: 2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoic acid Openeye Name: 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid CAS Name: 2-[6-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-1-indolyl]acetic acid IUPAC Name: 2-[6-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid Traditional Name: 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid Formula: C20H17BrN6O2 MolecularWeight: 453.29198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)C=CN4CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)C=CN4CC(=O)O

InChI

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