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

Systemtic Name: 2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-[5-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C22H25BrN6O3 MolecularWeight: 501.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C22H25BrN6O3/c1-13(2)20(30)27-15-3-4-18-16(9-15)17(12-24-18)19(21(31)32)28-5-7-29(8-6-28)22-25-10-14(23)11-26-22/h3-4,9-13,19,24H,5-8H2,1-2H3,(H,27,30)(H,31,32)