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

Systemtic Name: bis[[5-[3-azido-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] (4-methylsulfonylphenyl) phosphate Openeye Name: bis[[5-(3-azido-5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] (4-methylsulfonylphenyl) phosphate CAS Name: phosphoric acid bis[[5-(3-azido-5-methyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]-hydroxymethyl] (4-methylsulfonylphenyl) ester IUPAC Name: bis[[5-(3-azido-5-methyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-hydroxymethyl] (4-methylsulfonylphenyl) phosphate Traditional Name: phosphoric acid bis[[5-(3-azido-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)N(C1=O)N=[N+]=[N-])C2CC(C(O2)C(O)OP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C)OC(C4C(CC(O4)N5C=C(C(=O)N(C5=O)N=[N+]=[N-])C)O)O)O

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)N=[N+]=[N-])C2CC(C(O2)C(O)OP(=O)(OC3=CC=C(C=C3)S(=O)(=O)C)OC(C4C(CC(O4)N5C=C(C(=O)N(C5=O)N=[N+]=[N-])C)O)O)O

InChI

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