2-(furan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(furan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(2-furylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(2-furanylmethyl)-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(furan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(2-furfuryl)-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

InChI

InChI=1S/C22H19N5O4/c28-19(25-8-10-26(11-9-25)22-23-6-2-7-24-22)15-4-5-17-18(13-15)21(30)27(20(17)29)14-16-3-1-12-31-16/h1-7,12-13H,8-11,14H2