2-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone

Systemtic Name: 2-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone Openeye Name: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-ylidene]-1-phenyl-ethanone CAS Name: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-purin-6-ylidene]-1-phenylethanone IUPAC Name: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-ylidene]-1-phenylethanone Traditional Name: 2-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1H-purin-6-ylidene]-1-phenyl-ethanone Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C2C3=C(N=CN2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C=C2C3=C(N=CN2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H18N4O5/c23-7-13-15(25)16(26)18(27-13)22-9-21-14-11(19-8-20-17(14)22)6-12(24)10-4-2-1-3-5-10/h1-6,8-9,13,15-16,18,23,25-26H,7H2,(H,19,20)