[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis(4-nitrophenyl) phosphate

Systemtic Name: [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl bis(4-nitrophenyl) phosphate Openeye Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis(4-nitrophenyl) phosphate CAS Name: phosphoric acid [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl bis(4-nitrophenyl) ester IUPAC Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-nitrophenyl) phosphate Traditional Name: phosphoric acid [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis(4-nitrophenyl) ester Formula: C22H20N7O11P MolecularWeight: 589.408261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C22H20N7O11P/c1-13-11-27(22(31)24-21(13)30)20-10-18(25-26-23)19(38-20)12-37-41(36,39-16-6-2-14(3-7-16)28(32)33)40-17-8-4-15(5-9-17)29(34)35/h2-9,11,18-20H,10,12H2,1H3,(H,24,30,31)/t18-,19+,20+/m0/s1