2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C18H18BrN5O2/c19-12-9-21-18(22-10-12)24-7-5-23(6-8-24)16(17(25)26)14-11-20-15-4-2-1-3-13(14)15/h1-4,9-11,16,20H,5-8H2,(H,25,26)