2-azanyl-4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxo-butanoic acid CAS Name: 2-amino-4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid Traditional Name: 2-amino-4-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-4-keto-butyric acid Formula: C12H16N6O6 MolecularWeight: 340.29204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O6/c13-6(11(21)22)3-7(19)24-2-1-23-5-18-4-15-8-9(18)16-12(14)17-10(8)20/h4,6H,1-3,5,13H2,(H,21,22)(H3,14,16,17,20)