[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-(methylaminomethyl)-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-(methylaminomethyl)-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[5-(methylaminomethyl)-4-oxo-2-thioxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[5-(methylaminomethyl)-4-oxo-2-sulfanylidene-1-pyrimidinyl]-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[5-(methylaminomethyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-4-hydroxy-5-[4-keto-5-(methylaminomethyl)-2-thioxo-pyrimidin-1-yl]-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C20H28N5O13PS MolecularWeight: 609.500781

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O

Isomeric SMILES

CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O

InChI

InChI=1S/C20H28N5O13PS/c1-21-4-8-5-25(20(40)23-16(8)31)18-14(30)15(9(6-26)36-18)38-39(33,34)35-7-10-12(28)13(29)17(37-10)24-3-2-11(27)22-19(24)32/h2-3,5,9-10,12-15,17-18,21,26,28-30H,4,6-7H2,1H3,(H,33,34)(H,22,27,32)(H,23,31,40)/t9-,10-,12-,13-,14-,15-,17-,18-/m1/s1