[(2S)-5-(6-hexoxypurin-9-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S)-5-(6-hexoxypurin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S)-5-(6-hexoxypurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-5-(6-hexoxy-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-5-(6-hexoxypurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-5-(6-hexoxypurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=NC2=C1N=CN2C3CCC(O3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=NC=NC2=C1N=CN2C3CC[C@H](O3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O4/c1-2-3-4-8-13-29-22-20-21(24-15-25-22)27(16-26-20)19-12-11-18(31-19)14-30-23(28)17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,2-4,8,11-14H2,1H3/t18-,19?/m0/s1