[3-[5-[5-azaniumyl-2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]azanium dichloride

Systemtic Name: [3-[5-[5-azaniumyl-2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-bis(oxidanylidene)-6-[[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]amino]-1H-pyrimidin-5-yl]azanium dichloride Openeye Name: [3-[5-[5-azaniumyl-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]ammonium dichloride CAS Name: [3-[5-[5-ammonio-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]ammonium dichloride IUPAC Name: [3-[5-[5-azaniumyl-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-dioxo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]azanium dichloride Traditional Name: [3-[5-[5-ammonio-2,4-diketo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-3-yl]pentyl]-2,4-diketo-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-5-yl]ammonium dichloride Formula: C23H42Cl2N8O12 MolecularWeight: 693.53198

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN1C(=O)C(=C(NC1=O)NCC(C(C(CO)O)O)O)[NH3+])CCN2C(=O)C(=C(NC2=O)NCC(C(C(CO)O)O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C(CCN1C(=O)C(=C(NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)[NH3+])CCN2C(=O)C(=C(NC2=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C23H40N8O12.2ClH/c24-14-18(26-6-10(34)16(38)12(36)8-32)28-22(42)30(20(14)40)4-2-1-3-5-31-21(41)15(25)19(29-23(31)43)27-7-11(35)17(39)13(37)9-33;;/h10-13,16-17,26-27,32-39H,1-9,24-25H2,(H,28,42)(H,29,43);2*1H/t10-,11-,12+,13+,16-,17-;;/m0../s1