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

Systemtic Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxy-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxy-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[methoxy(methyl)thiophosphoryl]oxy-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C39H40N3O8PS MolecularWeight: 741.788961

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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)(C)OC

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)O[P@@](=S)(C)OC

InChI

InChI=1S/C39H40N3O8PS/c1-45-31-19-15-29(16-20-31)39(28-13-9-6-10-14-28,30-17-21-32(46-2)22-18-30)48-26-34-33(50-51(4,52)47-3)25-36(49-34)42-24-23-35(41-38(42)44)40-37(43)27-11-7-5-8-12-27/h5-24,33-34,36H,25-26H2,1-4H3,(H,40,41,43,44)/t33-,34+,36+,51+/m0/s1