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

Systemtic Name: [(2S)-5-(6-methoxypurin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S)-5-(6-methoxypurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-5-(6-methoxy-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-5-(6-methoxypurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-5-(6-methoxypurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3CCC(O3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3CC[C@H](O3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O4/c1-24-17-15-16(19-10-20-17)22(11-21-15)14-8-7-13(26-14)9-25-18(23)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t13-,14?/m0/s1