2-[6-(acenaphthylen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(acenaphthylen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(acenaphthylen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(1-acenaphthylenylmethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(acenaphthylen-1-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(acenaphthylen-1-ylmethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C3=CC=C2)CNC4=NC=NC5=C4N=CN5C6C(C(C(O6)CO)O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C3=CC=C2)CNC4=NC=NC5=C4N=CN5C6C(C(C(O6)CO)O)O

InChI

InChI=1S/C23H21N5O4/c29-9-16-19(30)20(31)23(32-16)28-11-27-18-21(25-10-26-22(18)28)24-8-14-7-13-5-1-3-12-4-2-6-15(14)17(12)13/h1-7,10-11,16,19-20,23,29-31H,8-9H2,(H,24,25,26)