3-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxo-propanoic acid CAS Name: 3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxopropanoic acid IUPAC Name: 3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxopropanoic acid Traditional Name: 3-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-3-keto-propionic acid Formula: C11H13N5O6 MolecularWeight: 311.25082

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(=O)CC(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOC(=O)CC(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H13N5O6/c12-11-14-9-8(10(20)15-11)13-4-16(9)5-21-1-2-22-7(19)3-6(17)18/h4H,1-3,5H2,(H,17,18)(H3,12,14,15,20)