[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethylthio)-1-pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethylthio)-1-pyrimidinyl]-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-[4-(benzylthio)-2-keto-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[4-(benzylthio)-2-keto-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C32H36N4O15P2S2 MolecularWeight: 842.723562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)N(C=C2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)SCC6=CC=CC=C6)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)SCC6=CC=CC=C6)O)O)O)O

InChI

InChI=1S/C32H36N4O15P2S2/c37-25-21(49-29(27(25)39)35-13-11-23(33-31(35)41)54-17-19-7-3-1-4-8-19)15-47-52(43,44)51-53(45,46)48-16-22-26(38)28(40)30(50-22)36-14-12-24(34-32(36)42)55-18-20-9-5-2-6-10-20/h1-14,21-22,25-30,37-40H,15-18H2,(H,43,44)(H,45,46)/t21-,22-,25-,26-,27-,28-,29-,30-/m1/s1