N-[9-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(4R,5S)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(4R,5S)-4,5-bis(hydroxymethyl)-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(4R,5S)-4,5-dimethyloltetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)CO

Isomeric SMILES

C1[C@@H]([C@H](OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)CO

InChI

InChI=1S/C18H19N5O4/c24-7-12-6-14(27-13(12)8-25)23-10-21-15-16(19-9-20-17(15)23)22-18(26)11-4-2-1-3-5-11/h1-5,9-10,12-14,24-25H,6-8H2,(H,19,20,22,26)/t12-,13-,14?/m1/s1