N-[2-[[6-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(5-bromo-2-furanyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(5-bromo-2-furoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C23H25BrN6O3 MolecularWeight: 513.387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H25BrN6O3/c1-16(31)25-9-10-26-20-15-21(28-22(27-20)17-5-3-2-4-6-17)29-11-13-30(14-12-29)23(32)18-7-8-19(24)33-18/h2-8,15H,9-14H2,1H3,(H,25,31)(H,26,27,28)