N-[9-[(2R,4S)-5-oxidanylidene-4-phenylsulfanyl-oxolan-2-yl]purin-6-yl]-N-(phenylcarbonyl)benzamide

Systemtic Name: N-[9-[(2R,4S)-5-oxidanylidene-4-phenylsulfanyl-oxolan-2-yl]purin-6-yl]-N-(phenylcarbonyl)benzamide Openeye Name: N-benzoyl-N-[9-[(2R,4S)-5-oxo-4-phenylsulfanyl-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-benzoyl-N-[9-[(2R,4S)-5-oxo-4-(phenylthio)-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-benzoyl-N-[9-[(2R,4S)-5-oxo-4-phenylsulfanyloxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-benzoyl-N-[9-[(2R,4S)-5-keto-4-(phenylthio)tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C29H21N5O4S MolecularWeight: 535.57314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC1N2C=NC3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

C1[C@@H](C(=O)O[C@H]1N2C=NC3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C29H21N5O4S/c35-27(19-10-4-1-5-11-19)34(28(36)20-12-6-2-7-13-20)26-24-25(30-17-31-26)33(18-32-24)23-16-22(29(37)38-23)39-21-14-8-3-9-15-21/h1-15,17-18,22-23H,16H2/t22-,23+/m0/s1