2-[9-(oxan-2-yl)purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-(oxan-2-yl)purin-6-yl]isoindole-1,3-dione Openeye Name: 2-(9-tetrahydropyran-2-ylpurin-6-yl)isoindoline-1,3-dione CAS Name: 2-[9-(2-oxanyl)-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-(oxan-2-yl)purin-6-yl]isoindole-1,3-dione Traditional Name: 2-(9-tetrahydropyran-2-ylpurin-6-yl)isoindoline-1,3-quinone Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C18H15N5O3/c24-17-11-5-1-2-6-12(11)18(25)23(17)16-14-15(19-9-20-16)22(10-21-14)13-7-3-4-8-26-13/h1-2,5-6,9-10,13H,3-4,7-8H2