N-[9-[[(1R,2S)-1-oxidanyl-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[[(1R,2S)-1-oxidanyl-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]benzamide Openeye Name: N-[9-[[(1R,2S)-2-(benzyloxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]benzamide CAS Name: N-[9-[[(1R,2S)-1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]-6-purinyl]benzamide IUPAC Name: N-[9-[[(1R,2S)-1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]benzamide Traditional Name: N-[9-[[(1R,2S)-2-(benzoxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]benzamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)COCC2=CC=CC=C2)(CN3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC[C@@]([C@@H](C1)COCC2=CC=CC=C2)(CN3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H29N5O3/c33-26(21-11-5-2-6-12-21)31-24-23-25(29-18-28-24)32(19-30-23)17-27(34)14-8-7-13-22(27)16-35-15-20-9-3-1-4-10-20/h1-6,9-12,18-19,22,34H,7-8,13-17H2,(H,28,29,31,33)/t22-,27-/m0/s1