3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3-oxo-propanoic acid CAS Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]-3-oxopropanoic acid IUPAC Name: 3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-oxopropanoic acid Traditional Name: 3-[[5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3-keto-propionic acid Formula: C13H15N5O8 MolecularWeight: 369.2869

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COC(=O)CC(=O)O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COC(=O)CC(=O)O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H15N5O8/c14-13-16-10-7(11(24)17-13)15-3-18(10)12-9(23)8(22)4(26-12)2-25-6(21)1-5(19)20/h3-4,8-9,12,22-23H,1-2H2,(H,19,20)(H3,14,16,17,24)