[2-(6-benzamidopurin-9-yl)-4,5-bis(oxidanyl)oxan-3-yl] benzoate

Systemtic Name: [2-(6-benzamidopurin-9-yl)-4,5-bis(oxidanyl)oxan-3-yl] benzoate Openeye Name: [2-(6-benzamidopurin-9-yl)-4,5-dihydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-(6-benzamido-9-purinyl)-4,5-dihydroxy-3-oxanyl] ester IUPAC Name: [2-(6-benzamidopurin-9-yl)-4,5-dihydroxyoxan-3-yl] benzoate Traditional Name: benzoic acid [2-(6-benzamidopurin-9-yl)-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C24H21N5O6 MolecularWeight: 475.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)O

Isomeric SMILES

C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)O

InChI

InChI=1S/C24H21N5O6/c30-16-11-34-23(19(18(16)31)35-24(33)15-9-5-2-6-10-15)29-13-27-17-20(25-12-26-21(17)29)28-22(32)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,23,30-31H,11H2,(H,25,26,28,32)