2-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]isoindole-1,3-dione Openeye Name: 2-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]isoindoline-1,3-dione CAS Name: 2-[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]isoindole-1,3-dione IUPAC Name: 2-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]isoindole-1,3-dione Traditional Name: 2-[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]isoindoline-1,3-quinone Formula: C18H15N5O5 MolecularWeight: 381.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)CO)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N4C(=O)C5=CC=CC=C5C4=O)CO)O

InChI

InChI=1S/C18H15N5O5/c24-6-12-11(25)5-13(28-12)22-8-21-14-15(22)19-7-20-16(14)23-17(26)9-3-1-2-4-10(9)18(23)27/h1-4,7-8,11-13,24-25H,5-6H2