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

Systemtic Name: 6-[6-azanyl-2-(phenylmethyl)purin-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-(6-amino-2-benzyl-purin-3-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[6-amino-2-(phenylmethyl)-3-purinyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-(6-amino-2-benzylpurin-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-(6-amino-2-benzyl-purin-3-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=NC(=C3C(=NC=N3)N2OC4C(C(C(C(O4)C(=O)O)O)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C3C(=NC=N3)N2OC4C(C(C(C(O4)C(=O)O)O)O)O)N

InChI

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