2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(2-methyl-1-oxidanyl-propyl)-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(2-methyl-1-oxidanyl-propyl)-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-propyl)-4-methyl-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-thiazol-3-iumyl]ethyl-phosphonooxyphosphinic acid IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxyphosphinic acid Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-propyl)-4-methyl-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid Formula: C16H27N4O7P2S+ MolecularWeight: 481.420702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C(C)C)O)CCP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C(C)C)O)CCP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C16H26N4O7P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(30-16)5-6-28(22,23)27-29(24,25)26/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1