[[(2S,3S,4R,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2S,3S,4R,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[(2S,3S,4R,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2S,3S,4R,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,3S,4R,5R)-3-azido-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(2S,3S,4R,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2S,3S,4R,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C20H28N10O21P4 MolecularWeight: 868.385764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C)O)N=[N+]=[N-])N=[N+]=[N-])O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)O)N=[N+]=[N-])N=[N+]=[N-])O

InChI

InChI=1S/C20H28N10O21P4/c1-7-3-29(19(35)23-15(7)33)17-13(31)11(25-27-21)9(47-17)5-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-6-10-12(26-28-22)14(32)18(48-10)30-4-8(2)16(34)24-20(30)36/h3-4,9-14,17-18,31-32H,5-6H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,23,33,35)(H,24,34,36)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1