2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(2-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(2-pyrrol-1-ylphenyl)ethanamide Openeye Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(2-pyrrol-1-ylphenyl)acetamide CAS Name: 2-[4-[6-(3-bromoanilino)-4-pyrimidinyl]-1-piperazinyl]-N-[2-(1-pyrrolyl)phenyl]acetamide IUPAC Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(2-pyrrol-1-ylphenyl)acetamide Traditional Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazino]-N-(2-pyrrol-1-ylphenyl)acetamide Formula: C26H26BrN7O MolecularWeight: 532.43494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2N3C=CC=C3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2N3C=CC=C3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H26BrN7O/c27-20-6-5-7-21(16-20)30-24-17-25(29-19-28-24)34-14-12-32(13-15-34)18-26(35)31-22-8-1-2-9-23(22)33-10-3-4-11-33/h1-11,16-17,19H,12-15,18H2,(H,31,35)(H,28,29,30)