4-[(6-aminopurin-9-yl)methoxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(6-aminopurin-9-yl)methoxy]-4-oxidanylidene-butanoate Openeye Name: 4-[(6-aminopurin-9-yl)methoxy]-4-oxo-butanoate CAS Name: 4-[(6-aminopurin-9-yl)methoxy]-4-oxobutanoate IUPAC Name: 4-[(6-aminopurin-9-yl)methoxy]-4-oxobutanoate Traditional Name: 4-(adenin-9-ylmethoxy)-4-keto-butyrate Formula: C10H10N5O4- MolecularWeight: 264.2175

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2COC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2COC(=O)CCC(=O)[O-]

InChI

InChI=1S/C10H11N5O4/c11-9-8-10(13-3-12-9)15(4-14-8)5-19-7(18)2-1-6(16)17/h3-4H,1-2,5H2,(H,16,17)(H2,11,12,13)/p-1