(2R,3R)-4-(6-azanylidene-1-oxidanyl-purin-9-yl)-2,3-bis(oxidanyl)butanoic acid

Systemtic Name: (2R,3R)-4-(6-azanylidene-1-oxidanyl-purin-9-yl)-2,3-bis(oxidanyl)butanoic acid Openeye Name: (2R,3R)-2,3-dihydroxy-4-(1-hydroxy-6-imino-purin-9-yl)butanoic acid CAS Name: (2R,3R)-2,3-dihydroxy-4-(1-hydroxy-6-imino-9-purinyl)butanoic acid IUPAC Name: (2R,3R)-2,3-dihydroxy-4-(1-hydroxy-6-iminopurin-9-yl)butanoic acid Traditional Name: (2R,3R)-2,3-dihydroxy-4-(1-hydroxy-6-imino-purin-9-yl)butyric acid Formula: C9H11N5O5 MolecularWeight: 269.21414

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(C(C(=O)O)O)O)N=CN(C2=N)O

Isomeric SMILES

C1=NC2=C(N1C[C@H]([C@H](C(=O)O)O)O)N=CN(C2=N)O

InChI

InChI=1S/C9H11N5O5/c10-7-5-8(12-3-14(7)19)13(2-11-5)1-4(15)6(16)9(17)18/h2-4,6,10,15-16,19H,1H2,(H,17,18)/t4-,6-/m1/s1