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

Systemtic Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]isoindoline-1,3-quinone Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N4C(=O)C5=CC=CC=C5C4=O)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N4C(=O)C5=CC=CC=C5C4=O)C6=NC=CC=N6

InChI

InChI=1S/C25H21N7O2/c33-23-17-6-1-2-7-18(17)24(34)32(23)22-19-8-3-4-9-20(19)28-21(29-22)16-30-12-14-31(15-13-30)25-26-10-5-11-27-25/h1-11H,12-16H2