[5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name: [5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] benzoate Openeye Name: [5-(2-amino-6-methoxy-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(2-amino-6-methoxy-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(2-amino-6-methoxy-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)C4=CC=CC=C4)O)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)C4=CC=CC=C4)O)N

InChI

InChI=1S/C18H19N5O6/c1-27-15-11-14(21-18(19)22-15)23(8-20-11)16-12(25)13(10(7-24)28-16)29-17(26)9-5-3-2-4-6-9/h2-6,8,10,12-13,16,24-25H,7H2,1H3,(H2,19,21,22)