[(1S,2S,5S)-5-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)cyclohex-3-en-1-yl]methyl benzoate

Systemtic Name: [(1S,2S,5S)-5-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)cyclohex-3-en-1-yl]methyl benzoate Openeye Name: [(1S,2S,5S)-5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl benzoate CAS Name: benzoic acid [(1S,2S,5S)-5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-1-cyclohex-3-enyl]methyl ester IUPAC Name: [(1S,2S,5S)-5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl benzoate Traditional Name: benzoic acid [(1S,2S,5S)-5-adenin-9-yl-2-(benzoyloxymethyl)cyclohex-3-en-1-yl]methyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1[C@@H](C=C[C@@H]([C@H]1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C27H25N5O4/c28-24-23-25(30-16-29-24)32(17-31-23)22-12-11-20(14-35-26(33)18-7-3-1-4-8-18)21(13-22)15-36-27(34)19-9-5-2-6-10-19/h1-12,16-17,20-22H,13-15H2,(H2,28,29,30)/t20-,21-,22-/m1/s1