4-[2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(2-azanyl-6-oxidanylidene-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[(2-amino-6-keto-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-keto-butyric acid Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(N1COCCOC(=O)CCC(=O)O)N=C(NC2=O)N

Isomeric SMILES

C1=NC2C(N1COCCOC(=O)CCC(=O)O)N=C(NC2=O)N

InChI

InChI=1S/C12H17N5O6/c13-12-15-10-9(11(21)16-12)14-5-17(10)6-22-3-4-23-8(20)2-1-7(18)19/h5,9-10H,1-4,6H2,(H,18,19)(H3,13,15,16,21)