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

Systemtic Name: tris[[5-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] phosphate Openeye Name: tris[[5-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]-hydroxy-methyl] phosphate CAS Name: phosphoric acid tris[[5-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-hydroxymethyl] ester IUPAC Name: tris[[5-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl] phosphate Traditional Name: phosphoric acid tris[[5-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] ester Formula: C30H36N15O19P MolecularWeight: 941.669701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2(CC(C(O2)C(O)OP(=O)(OC(C3C(CC(O3)(N=[N+]=[N-])N4C=C(C(=O)NC4=O)C)O)O)OC(C5C(CC(O5)(N=[N+]=[N-])N6C=C(C(=O)NC6=O)C)O)O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2(CC(C(O2)C(O)OP(=O)(OC(C3C(CC(O3)(N=[N+]=[N-])N4C=C(C(=O)NC4=O)C)O)O)OC(C5C(CC(O5)(N=[N+]=[N-])N6C=C(C(=O)NC6=O)C)O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C30H36N15O19P/c1-10-7-43(25(55)34-19(10)49)28(37-40-31)4-13(46)16(59-28)22(52)62-65(58,63-23(53)17-14(47)5-29(60-17,38-41-32)44-8-11(2)20(50)35-26(44)56)64-24(54)18-15(48)6-30(61-18,39-42-33)45-9-12(3)21(51)36-27(45)57/h7-9,13-18,22-24,46-48,52-54H,4-6H2,1-3H3,(H,34,49,55)(H,35,50,56)(H,36,51,57)