2-[2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindole-1,3-dione hydrate

Systemtic Name: 2-[2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindole-1,3-dione hydrate Openeye Name: 2-[2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindoline-1,3-dione hydrate CAS Name: 2-[2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindole-1,3-dione hydrate IUPAC Name: 2-[2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindole-1,3-dione hydrate Traditional Name: 2-[2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methoxy]ethyl]isoindoline-1,3-quinone hydrate Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCN3C(=O)C4=CC=CC=C4C3=O)NC(=NC2=O)N.O

Isomeric SMILES

C1NC2=C(N1COCCN3C(=O)C4=CC=CC=C4C3=O)NC(=NC2=O)N.O

InChI

InChI=1S/C16H16N6O4.H2O/c17-16-19-12-11(13(23)20-16)18-7-21(12)8-26-6-5-22-14(24)9-3-1-2-4-10(9)15(22)25;/h1-4,18H,5-8H2,(H3,17,19,20,23);1H2