1-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-phenoxy-ethanone CAS Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-phenoxyethanone IUPAC Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenoxyethanone Traditional Name: 1-(2-adenin-9-yl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-phenoxy-ethanone Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)C2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)C2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H19N5O6/c19-16-13-17(21-8-20-16)23(9-22-13)18(15(27)14(26)11(6-24)29-18)12(25)7-28-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,24,26-27H,6-7H2,(H2,19,20,21)