4-[[2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid CAS Name: 4-[[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[[2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Traditional Name: 4-[[2,4-diketo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]carbamoyl]besylic acid Formula: C16H20N4O10S MolecularWeight: 460.4158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=O)NC2=O)NCC(C(C(CO)O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=O)NC2=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C16H20N4O10S/c21-6-10(23)12(24)9(22)5-17-13-11(15(26)20-16(27)19-13)18-14(25)7-1-3-8(4-2-7)31(28,29)30/h1-4,9-10,12,21-24H,5-6H2,(H,18,25)(H,28,29,30)(H3,17,19,20,26,27)/t9-,10+,12-/m0/s1