6-[6-azanyl-2-(phenylmethyl)purin-9-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[6-azanyl-2-(phenylmethyl)purin-9-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-(6-amino-2-benzyl-purin-9-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[6-amino-2-(phenylmethyl)-9-purinyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-(6-amino-2-benzylpurin-9-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-(6-amino-2-benzyl-purin-9-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C18H19N5O7 MolecularWeight: 417.37276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C(=N2)N)N=CN3OC4C(C(C(C(O4)C(=O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=N2)N)N=CN3OC4C(C(C(C(O4)C(=O)O)O)O)O

InChI

InChI=1S/C18H19N5O7/c19-15-10-16(22-9(21-15)6-8-4-2-1-3-5-8)23(7-20-10)30-18-13(26)11(24)12(25)14(29-18)17(27)28/h1-5,7,11-14,18,24-26H,6H2,(H,27,28)(H2,19,21,22)