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2-[2-oxidanyl-3-(6-oxidanylidene-3H-purin-7-yl)propyl]isoindole-1,3-dione

2-[2-oxidanyl-3-(6-oxidanylidene-3H-purin-7-yl)propyl]isoindole-1,3-dione

Systemtic Name:2-[2-oxidanyl-3-(6-oxidanylidene-3H-purin-7-yl)propyl]isoindole-1,3-dione
Openeye Name:2-[2-hydroxy-3-(6-oxo-3H-purin-7-yl)propyl]isoindoline-1,3-dione
CAS Name:2-[2-hydroxy-3-(6-oxo-3H-purin-7-yl)propyl]isoindole-1,3-dione
IUPAC Name:2-[2-hydroxy-3-(6-oxo-3H-purin-7-yl)propyl]isoindole-1,3-dione
Traditional Name:2-[2-hydroxy-3-(6-keto-3H-purin-7-yl)propyl]isoindoline-1,3-quinone
Formula: C16H13N5O4
MolecularWeight: 339.30552
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C=NC4=C3C(=O)N=CN4)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C=NC4=C3C(=O)N=CN4)O


InChI

InChI=1S/C16H13N5O4/c22-9(5-20-8-19-13-12(20)14(23)18-7-17-13)6-21-15(24)10-3-1-2-4-11(10)16(21)25/h1-4,7-9,22H,5-6H2,(H,17,18,23)


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