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

Systemtic Name: N-[9-[(2R,4S,5S)-4-oxidanyl-5-(phenylsulfanylmethyl)oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5S)-4-hydroxy-5-(phenylsulfanylmethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5S)-4-hydroxy-5-[(phenylthio)methyl]-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5S)-4-hydroxy-5-(phenylsulfanylmethyl)oxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5S)-4-hydroxy-5-[(phenylthio)methyl]tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CSC5=CC=CC=C5)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CSC5=CC=CC=C5)O

InChI

InChI=1S/C23H21N5O3S/c29-17-11-19(31-18(17)12-32-16-9-5-2-6-10-16)28-14-26-20-21(24-13-25-22(20)28)27-23(30)15-7-3-1-4-8-15/h1-10,13-14,17-19,29H,11-12H2,(H,24,25,27,30)/t17-,18+,19+/m0/s1