2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; benzoic acid

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; benzoic acid Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; benzoic acid CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; benzoic acid IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; benzoic acid Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; benzoic acid Formula: C38H37N5O12 MolecularWeight: 755.72668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.4C7H6O2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;4*8-7(9)6-4-2-1-3-5-6/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);4*1-5H,(H,8,9)