2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(6-chloranyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(6-chloranyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(6-chloro-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(6-chloro-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(6-chloro-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(6-chloro-1H-indol-3-yl)acetic acid Formula: C18H17BrClN5O2 MolecularWeight: 450.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C18H17BrClN5O2/c19-11-8-22-18(23-9-11)25-5-3-24(4-6-25)16(17(26)27)14-10-21-15-7-12(20)1-2-13(14)15/h1-2,7-10,16,21H,3-6H2,(H,26,27)