[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid (5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl) ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(12(7-23)25-13)26-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2,(H2,18,19,20)