1-[2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-(2-ethoxyphenyl)ethanone

Systemtic Name: 1-[2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-(2-ethoxyphenyl)ethanone Openeye Name: 1-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]-1-piperidyl]-2-(2-ethoxyphenyl)ethanone CAS Name: 1-[2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-1-piperidinyl]-2-(2-ethoxyphenyl)ethanone IUPAC Name: 1-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-(2-ethoxyphenyl)ethanone Traditional Name: 1-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidino]-2-o-phenetyl-ethanone Formula: C20H25BrN4O2 MolecularWeight: 433.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CC(=O)N2CCCCC2CNC3=NC=C(C=N3)Br

Isomeric SMILES

CCOC1=CC=CC=C1CC(=O)N2CCCCC2CNC3=NC=C(C=N3)Br

InChI

InChI=1S/C20H25BrN4O2/c1-2-27-18-9-4-3-7-15(18)11-19(26)25-10-6-5-8-17(25)14-24-20-22-12-16(21)13-23-20/h3-4,7,9,12-13,17H,2,5-6,8,10-11,14H2,1H3,(H,22,23,24)