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

Systemtic Name: 4-nitro-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-(2-pyrimidyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C17H16N6O4/c24-15-12-3-1-4-13(23(26)27)14(12)16(25)22(15)11-20-7-9-21(10-8-20)17-18-5-2-6-19-17/h1-6H,7-11H2