N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[methyl(phenylazanyl)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-[methyl(phenylazanyl)phosphinothioyl]oxy-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-4-[anilino(methyl)phosphinothioyl]oxy-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-4-[anilino(methyl)phosphinothioyl]oxy-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-4-[anilino(methyl)phosphinothioyl]oxy-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-4-[anilino(methyl)thiophosphoryl]oxy-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C44H43N4O7PS MolecularWeight: 802.873581

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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)NC7=CC=CC=C7

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)NC7=CC=CC=C7

InChI

InChI=1S/C44H43N4O7PS/c1-51-36-23-19-33(20-24-36)44(32-15-9-5-10-16-32,34-21-25-37(52-2)26-22-34)53-30-39-38(55-56(3,57)47-35-17-11-6-12-18-35)29-41(54-39)48-28-27-40(46-43(48)50)45-42(49)31-13-7-4-8-14-31/h4-28,38-39,41H,29-30H2,1-3H3,(H,47,57)(H,45,46,49,50)/t38-,39+,41+,56+/m0/s1