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

Systemtic Name: [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5S)-3,4-dihydroxy-5-(2-keto-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C18H26N4O22P4S MolecularWeight: 806.372684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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=CC(=S)NC4=O)O)O)O)O

Isomeric SMILES

C1=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=CC(=S)NC4=O)O)O)O)O

InChI

InChI=1S/C18H26N4O22P4S/c23-9-1-3-21(17(28)19-9)15-13(26)11(24)7(40-15)5-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-6-8-12(25)14(27)16(41-8)22-4-2-10(49)20-18(22)29/h1-4,7-8,11-16,24-27H,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,19,23,28)(H,20,29,49)/t7-,8-,11-,12-,13-,14-,15+,16+/m1/s1