bis[[5-(6-aminopurin-9-yl)oxolan-2-yl]-oxidanyl-methyl] (4-methylsulfonylphenyl) phosphate

Systemtic Name: bis[[5-(6-aminopurin-9-yl)oxolan-2-yl]-oxidanyl-methyl] (4-methylsulfonylphenyl) phosphate Openeye Name: bis[[5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]-hydroxy-methyl] (4-methylsulfonylphenyl) phosphate CAS Name: phosphoric acid bis[[5-(6-aminopurin-9-yl)-2-oxolanyl]-hydroxymethyl] (4-methylsulfonylphenyl) ester IUPAC Name: bis[[5-(6-aminopurin-9-yl)oxolan-2-yl]-hydroxymethyl] (4-methylsulfonylphenyl) phosphate Traditional Name: phosphoric acid bis[(5-adenin-9-yltetrahydrofuran-2-yl)-hydroxy-methyl] (4-mesylphenyl) ester Formula: C27H31N10O10PS MolecularWeight: 718.634801

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OC(C2CCC(O2)N3C=NC4=C3N=CN=C4N)O)OC(C5CCC(O5)N6C=NC7=C6N=CN=C7N)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OC(C2CCC(O2)N3C=NC4=C3N=CN=C4N)O)OC(C5CCC(O5)N6C=NC7=C6N=CN=C7N)O

InChI

InChI=1S/C27H31N10O10PS/c1-49(41,42)15-4-2-14(3-5-15)45-48(40,46-26(38)16-6-8-18(43-16)36-12-34-20-22(28)30-10-32-24(20)36)47-27(39)17-7-9-19(44-17)37-13-35-21-23(29)31-11-33-25(21)37/h2-5,10-13,16-19,26-27,38-39H,6-9H2,1H3,(H2,28,30,32)(H2,29,31,33)