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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazino]acetic acid Formula: C18H17Br2N5O2 MolecularWeight: 495.16788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Br2N5O2/c19-11-1-2-15-13(7-11)14(10-21-15)16(17(26)27)24-3-5-25(6-4-24)18-22-8-12(20)9-23-18/h1-2,7-10,16,21H,3-6H2,(H,26,27)