4-[[9-[4,5-bis(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[9-[4,5-bis(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]purin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[9-[3-hydroxy-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[9-[3-hydroxy-4,5-bis(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[9-[3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[9-(3-hydroxy-4,5-dimethylol-tetrahydrofuran-2-yl)purin-6-yl]amino]-4-keto-butyric acid Formula: C15H19N5O7 MolecularWeight: 381.34066

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NC(=O)CCC(=O)O)N=CN2C3C(C(C(O3)CO)CO)O

Isomeric SMILES

C1=NC2=C(C(=N1)NC(=O)CCC(=O)O)N=CN2C3C(C(C(O3)CO)CO)O

InChI

InChI=1S/C15H19N5O7/c21-3-7-8(4-22)27-15(12(7)26)20-6-18-11-13(16-5-17-14(11)20)19-9(23)1-2-10(24)25/h5-8,12,15,21-22,26H,1-4H2,(H,24,25)(H,16,17,19,23)