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

Systemtic Name: N-[2-[[6-[4-(3-bromophenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(3-bromobenzoyl)piperazino]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide Formula: C25H26BrClN6O2 MolecularWeight: 557.86994

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrClN6O2/c1-17(34)28-9-10-29-22-16-23(31-24(30-22)18-5-7-21(27)8-6-18)32-11-13-33(14-12-32)25(35)19-3-2-4-20(26)15-19/h2-8,15-16H,9-14H2,1H3,(H,28,34)(H,29,30,31)