ethyl 5-bromanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[4-(2-pyrimidyl)piperazino]methyl]coumarilic acid ethyl ester Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21BrN4O3/c1-2-27-19(26)18-16(15-12-14(21)4-5-17(15)28-18)13-24-8-10-25(11-9-24)20-22-6-3-7-23-20/h3-7,12H,2,8-11,13H2,1H3