methyl 4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C17H17BrN4O3/c1-25-16(24)13-4-2-12(3-5-13)15(23)21-6-8-22(9-7-21)17-19-10-14(18)11-20-17/h2-5,10-11H,6-9H2,1H3