[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,5R)-5-adenin-9-yl-3-amino-tetrahydrofuran-2-yl]methyl ester Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C17H18N6O3/c18-11-6-13(23-9-22-14-15(19)20-8-21-16(14)23)26-12(11)7-25-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13H,6-7,18H2,(H2,19,20,21)/t11-,12+,13+/m0/s1