[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-5-[3-(6-oxidanylideneheptanoylamino)prop-1-ynyl]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-5-[3-(6-oxidanylideneheptanoylamino)prop-1-ynyl]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-[2,4-dioxo-5-[3-(6-oxoheptanoylamino)prop-1-ynyl]pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-[5-[3-(1,6-dioxoheptylamino)prop-1-ynyl]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-[2,4-dioxo-5-[3-(6-oxoheptanoylamino)prop-1-ynyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-[2,4-diketo-5-[3-(6-ketoheptanoylamino)prop-1-ynyl]pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C19H28N3O17P3 MolecularWeight: 663.356803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC(=O)NCC#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

CC(=O)CCCCC(=O)NCC#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)O)O)O

InChI

InChI=1S/C19H28N3O17P3/c1-11(23)5-2-3-7-14(24)20-8-4-6-12-9-22(19(28)21-17(12)27)18-16(26)15(25)13(37-18)10-36-41(32,33)39-42(34,35)38-40(29,30)31/h9,13,15-16,18,25-26H,2-3,5,7-8,10H2,1H3,(H,20,24)(H,32,33)(H,34,35)(H,21,27,28)(H2,29,30,31)/t13-,15-,16-,18-/m1/s1