2-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethyl benzoate

Systemtic Name: 2-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethyl benzoate Openeye Name: 2-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]ethyl ester IUPAC Name: 2-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2R,3S,4R)-4-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)CCOC(=O)C2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1[C@H]([C@@H]([C@H](O1)CCOC(=O)C2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H19N5O4/c19-16-14-17(21-9-20-16)23(10-22-14)12-8-27-13(15(12)24)6-7-26-18(25)11-4-2-1-3-5-11/h1-5,9-10,12-13,15,24H,6-8H2,(H2,19,20,21)/t12-,13-,15+/m1/s1