[5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H25N5O7S MolecularWeight: 611.6245

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=C3NC(=NC4=S)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=C3NC(=NC4=S)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H25N5O7S/c32-31-34-25-22(26(44)35-31)33-17-36(25)27-24(43-30(39)20-14-8-3-9-15-20)23(42-29(38)19-12-6-2-7-13-19)21(41-27)16-40-28(37)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2,(H3,32,34,35,44)