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

Systemtic Name: N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-thiolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]purin-6-yl]benzamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)/t11-,12+,13+/m0/s1