N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-2-[6-[(4-methylsulfonylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-2-[6-[(4-methylsulfonylphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolan-3-yl]-4-phenyl-benzamide Openeye Name: N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(4-methylsulfonylphenyl)methylamino]purin-9-yl]tetrahydrofuran-3-yl]-4-phenyl-benzamide CAS Name: N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(4-methylsulfonylphenyl)methylamino]-9-purinyl]-3-oxolanyl]-4-phenylbenzamide IUPAC Name: N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(4-methylsulfonylphenyl)methylamino]purin-9-yl]oxolan-3-yl]-4-phenylbenzamide Traditional Name: N-[(2R,3R,4S,5R)-4-hydroxy-2-[6-[(4-mesylbenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3-yl]-4-phenyl-benzamide Formula: C31H30N6O6S MolecularWeight: 614.6715

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H30N6O6S/c1-44(41,42)23-13-7-19(8-14-23)15-32-28-26-29(34-17-33-28)37(18-35-26)31-25(27(39)24(16-38)43-31)36-30(40)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14,17-18,24-25,27,31,38-39H,15-16H2,1H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/m1/s1