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

Systemtic Name: [2-azanyl-9-[3-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] benzoate Openeye Name: [2-amino-9-[3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl] benzoate CAS Name: benzoic acid [2-amino-9-[3-fluoro-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl] ester IUPAC Name: [2-amino-9-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] benzoate Traditional Name: benzoic acid [2-amino-9-(3-fluoro-5-methylol-tetrahydrofuran-2-yl)purin-6-yl] ester Formula: C17H16FN5O4 MolecularWeight: 373.338443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1F)N2C=NC3=C2N=C(N=C3OC(=O)C4=CC=CC=C4)N)CO

Isomeric SMILES

C1C(OC(C1F)N2C=NC3=C2N=C(N=C3OC(=O)C4=CC=CC=C4)N)CO

InChI

InChI=1S/C17H16FN5O4/c18-11-6-10(7-24)26-15(11)23-8-20-12-13(23)21-17(19)22-14(12)27-16(25)9-4-2-1-3-5-9/h1-5,8,10-11,15,24H,6-7H2,(H2,19,21,22)