N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C53H51N6O13PS MolecularWeight: 1043.043201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP(=S)(O)OC[C@@H]7[C@H](C[C@@H](O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)O

InChI

InChI=1S/C53H51N6O13PS/c1-66-39-22-18-37(19-23-39)53(36-16-10-5-11-17-36,38-20-24-40(67-2)25-21-38)68-32-44-42(31-48(71-44)59-29-27-46(57-52(59)64)55-50(62)35-14-8-4-9-15-35)72-73(65,74)69-33-43-41(60)30-47(70-43)58-28-26-45(56-51(58)63)54-49(61)34-12-6-3-7-13-34/h3-29,41-44,47-48,60H,30-33H2,1-2H3,(H,65,74)(H,54,56,61,63)(H,55,57,62,64)/t41-,42-,43+,44+,47+,48+,73?/m0/s1