[5-(6-cyanopurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-cyanopurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-cyanopurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(6-cyano-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-cyanopurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(6-cyanopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C32H23N5O7 MolecularWeight: 589.55432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H23N5O7/c33-16-23-25-28(35-18-34-23)37(19-36-25)29-27(44-32(40)22-14-8-3-9-15-22)26(43-31(39)21-12-6-2-7-13-21)24(42-29)17-41-30(38)20-10-4-1-5-11-20/h1-15,18-19,24,26-27,29H,17H2