[(2R,3S,5R)-5-[2,6-bis(azanyl)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-[2,6-bis(azanyl)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl [(2R,3S,5R)-5-(2,6-diamino-9-purinyl)-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate Formula: C19H25BrN8O13P2 MolecularWeight: 715.299122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C4N=C(N=C5N)N)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C4N=C(N=C5N)N)O

InChI

InChI=1S/C19H25BrN8O13P2/c20-7-3-27(19(31)26-17(7)30)12-1-8(29)10(39-12)4-38-43(35,36)41-9-2-13(40-11(9)5-37-42(32,33)34)28-6-23-14-15(21)24-18(22)25-16(14)28/h3,6,8-13,29H,1-2,4-5H2,(H,35,36)(H,26,30,31)(H2,32,33,34)(H4,21,22,24,25)/t8-,9-,10+,11+,12+,13+/m0/s1