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

Systemtic Name: N-[9-[(2R,4S,5R)-4-oxidanyl-5-[(9-phenylthioxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylthioxanthen-9-yl)oxymethyl]tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenyl-9-thioxanthenyl)oxymethyl]-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylthioxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylthioxanthen-9-yl)oxymethyl]tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C36H29N5O4S MolecularWeight: 627.71156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC5(C6=CC=CC=C6SC7=CC=CC=C75)C8=CC=CC=C8)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC5(C6=CC=CC=C6SC7=CC=CC=C75)C8=CC=CC=C8)O

InChI

InChI=1S/C36H29N5O4S/c42-27-19-31(41-22-39-32-33(37-21-38-34(32)41)40-35(43)23-11-3-1-4-12-23)45-28(27)20-44-36(24-13-5-2-6-14-24)25-15-7-9-17-29(25)46-30-18-10-8-16-26(30)36/h1-18,21-22,27-28,31,42H,19-20H2,(H,37,38,40,43)/t27-,28+,31+/m0/s1