bis[[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] (4-methylsulfonylphenyl) phosphate

Systemtic Name: bis[[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] (4-methylsulfonylphenyl) phosphate Openeye Name: bis[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]-hydroxy-methyl] (4-methylsulfonylphenyl) phosphate CAS Name: phosphoric acid bis[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-hydroxymethyl] (4-methylsulfonylphenyl) ester IUPAC Name: bis[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl] (4-methylsulfonylphenyl) phosphate Traditional Name: phosphoric acid bis[[3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] (4-mesylphenyl) ester Formula: C27H31N10O16PS MolecularWeight: 814.631201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(O)OP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C)OC(C4C(CC(O4)N5C=C(C(=O)NC5=O)C)(N=[N+]=[N-])O)O)(N=[N+]=[N-])O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(O)OP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C)OC(C4C(CC(O4)N5C=C(C(=O)NC5=O)C)(N=[N+]=[N-])O)O)(N=[N+]=[N-])O

InChI

InChI=1S/C27H31N10O16PS/c1-12-10-36(24(42)30-20(12)38)16-8-26(44,32-34-28)18(49-16)22(40)52-54(46,51-14-4-6-15(7-5-14)55(3,47)48)53-23(41)19-27(45,33-35-29)9-17(50-19)37-11-13(2)21(39)31-25(37)43/h4-7,10-11,16-19,22-23,40-41,44-45H,8-9H2,1-3H3,(H,30,38,42)(H,31,39,43)