[6-(6-benzamido-7H-purin-2-yl)-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-(6-benzamido-7H-purin-2-yl)-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [6-(6-benzamido-7H-purin-2-yl)-5-benzoyloxy-4-hydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [6-(6-benzamido-7H-purin-2-yl)-5-benzoyloxy-4-hydroxy-3-oxanyl] ester IUPAC Name: [6-(6-benzamido-7H-purin-2-yl)-5-benzoyloxy-4-hydroxyoxan-3-yl] benzoate Traditional Name: benzoic acid [6-(6-benzamido-7H-purin-2-yl)-5-benzoyloxy-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C31H25N5O7 MolecularWeight: 579.5595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)C2=NC3=C(C(=N2)NC(=O)C4=CC=CC=C4)NC=N3)OC(=O)C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C(C(C(C(O1)C2=NC3=C(C(=N2)NC(=O)C4=CC=CC=C4)NC=N3)OC(=O)C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H25N5O7/c37-23-21(42-30(39)19-12-6-2-7-13-19)16-41-25(24(23)43-31(40)20-14-8-3-9-15-20)28-34-26-22(32-17-33-26)27(35-28)36-29(38)18-10-4-1-5-11-18/h1-15,17,21,23-25,37H,16H2,(H2,32,33,34,35,36,38)