[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,5R)-5-(4-amino-2-keto-s-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C8H15N4O13P3 MolecularWeight: 468.144983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C8H15N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H,18,19)(H,20,21)(H2,9,11,14)(H2,15,16,17)/t4-,5+,6+/m0/s1