[(7R,8S)-7-(6-aminopurin-9-yl)-8-oxidanyl-nonyl] benzoate

Systemtic Name: [(7R,8S)-7-(6-aminopurin-9-yl)-8-oxidanyl-nonyl] benzoate Openeye Name: [(7R,8S)-7-(6-aminopurin-9-yl)-8-hydroxy-nonyl] benzoate CAS Name: benzoic acid [(7R,8S)-7-(6-aminopurin-9-yl)-8-hydroxynonyl] ester IUPAC Name: [(7R,8S)-7-(6-aminopurin-9-yl)-8-hydroxynonyl] benzoate Traditional Name: benzoic acid [(7R,8S)-7-adenin-9-yl-8-hydroxy-nonyl] ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCCCOC(=O)C1=CC=CC=C1)N2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C[C@@H]([C@@H](CCCCCCOC(=O)C1=CC=CC=C1)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C21H27N5O3/c1-15(27)17(26-14-25-18-19(22)23-13-24-20(18)26)11-7-2-3-8-12-29-21(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17,27H,2-3,7-8,11-12H2,1H3,(H2,22,23,24)/t15-,17+/m0/s1