N-[2-[[6-[4-(3-bromophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(3-bromophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C25H27BrN6O2 MolecularWeight: 523.42488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN6O2/c1-18(33)27-10-11-28-22-17-23(30-24(29-22)19-6-3-2-4-7-19)31-12-14-32(15-13-31)25(34)20-8-5-9-21(26)16-20/h2-9,16-17H,10-15H2,1H3,(H,27,33)(H,28,29,30)