2-[9-[2-(phenylmethyl)-1,2-oxazolidin-5-yl]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[2-(phenylmethyl)-1,2-oxazolidin-5-yl]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-(2-benzylisoxazolidin-5-yl)purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[2-(phenylmethyl)-5-isoxazolidinyl]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-(2-benzyl-1,2-oxazolidin-5-yl)purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-(2-benzylisoxazolidin-5-yl)purin-6-yl]isoindoline-1,3-quinone Formula: C23H18N6O3 MolecularWeight: 426.42742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(OC1N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=C6

Isomeric SMILES

C1CN(OC1N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=C6

InChI

InChI=1S/C23H18N6O3/c30-22-16-8-4-5-9-17(16)23(31)29(22)21-19-20(24-13-25-21)28(14-26-19)18-10-11-27(32-18)12-15-6-2-1-3-7-15/h1-9,13-14,18H,10-12H2