N-[9-[(3S,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(3S,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]purin-6-yl]benzamide CAS Name: N-[9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-oxanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(3S,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(3S,5S,6R)-5-hydroxy-6-methylol-tetrahydropyran-3-yl]purin-6-yl]benzamide Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(C1O)CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O4/c24-7-14-13(25)6-12(8-27-14)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+/m0/s1