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

Systemtic Name: tris[[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] phosphate Openeye Name: tris[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]-hydroxy-methyl] phosphate CAS Name: phosphoric acid tris[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-hydroxymethyl] ester IUPAC Name: tris[[3-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-hydroxymethyl] phosphate Traditional Name: phosphoric acid tris[[3-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)C2CC(C(O2)C(O)OP(=O)(OC(C3C(CC(O3)N4C=C(C(=O)NC4=O)C)(N=[N+]=[N-])O)O)OC(C5C(CC(O5)N6C=C(C(=O)NC6=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)(OC(C3C(CC(O3)N4C=C(C(=O)NC4=O)C)(N=[N+]=[N-])O)O)OC(C5C(CC(O5)N6C=C(C(=O)NC6=O)C)(N=[N+]=[N-])O)O)(N=[N+]=[N-])O

InChI

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