benzoic acid; 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: benzoic acid; 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: benzoic acid; 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: benzoic acid; 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: benzoic acid; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: benzoic acid; 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C17H18N4O7 MolecularWeight: 390.34742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H12N4O5.C7H6O2/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;8-7(9)6-4-2-1-3-5-6/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);1-5H,(H,8,9)