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

Systemtic Name: 4-azanyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[4-(2-pyrimidyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)N)C4=NC=CC=N4

InChI

InChI=1S/C17H18N6O2/c18-13-4-1-3-12-14(13)16(25)23(15(12)24)11-21-7-9-22(10-8-21)17-19-5-2-6-20-17/h1-6H,7-11,18H2