5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]isoindole-1,3-dione

Systemtic Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]isoindole-1,3-dione Openeye Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]isoindoline-1,3-dione CAS Name: 5-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]isoindole-1,3-dione IUPAC Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]isoindole-1,3-dione Traditional Name: 5-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]isoindoline-1,3-quinone Formula: C25H22N8O2 MolecularWeight: 466.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)C(=O)NC5=O)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)C(=O)NC5=O)C6=NC=CC=N6

InChI

InChI=1S/C25H22N8O2/c34-23-17-7-6-16(14-19(17)24(35)31-23)28-22-18-4-1-2-5-20(18)29-21(30-22)15-32-10-12-33(13-11-32)25-26-8-3-9-27-25/h1-9,14H,10-13,15H2,(H,28,29,30)(H,31,34,35)