N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]sulfamoylamino]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]sulfamoylamino]methyl]-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]sulfamoylamino]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]sulfamoylamino]methyl]-4-hydroxy-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfamoylamino]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[[(2S,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]sulfamoylamino]methyl]-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C48H49N9O11S MolecularWeight: 960.02136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)NS(=O)(=O)NCC6C(CC(O6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)NS(=O)(=O)NC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)O

InChI

InChI=1S/C48H49N9O11S/c1-29-25-56(47(61)54-45(29)59)40-22-36(39(68-40)26-66-48(31-12-8-5-9-13-31,32-14-18-34(64-2)19-15-32)33-16-20-35(65-3)21-17-33)55-69(62,63)52-24-38-37(58)23-41(67-38)57-28-51-42-43(49-27-50-44(42)57)53-46(60)30-10-6-4-7-11-30/h4-21,25,27-28,36-41,52,55,58H,22-24,26H2,1-3H3,(H,54,59,61)(H,49,50,53,60)/t36-,37-,38+,39+,40+,41+/m0/s1