N-[3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]acetamide CAS Name: N-[3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]phenyl]acetamide IUPAC Name: N-[3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]phenyl]acetamide Formula: C25H26N8O MolecularWeight: 454.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H26N8O/c1-18(34)28-19-6-4-7-20(16-19)29-24-21-8-2-3-9-22(21)30-23(31-24)17-32-12-14-33(15-13-32)25-26-10-5-11-27-25/h2-11,16H,12-15,17H2,1H3,(H,28,34)(H,29,30,31)