[2-[3-[(4-azaniumyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-ethoxy-phosphoryl] phosphate

Systemtic Name: [2-[3-[(4-azaniumyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-ethoxy-phosphoryl] phosphate Openeye Name: [2-[3-[(4-azaniumyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-ethoxy-phosphoryl] phosphate CAS Name: [2-[3-[(4-ammonio-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-ethoxyphosphoryl] phosphate IUPAC Name: [2-[3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-ethoxyphosphoryl] phosphate Traditional Name: [2-[3-[(4-ammonio-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-ethoxy-phosphoryl] phosphate Formula: C14H22N4O7P2S MolecularWeight: 452.359602

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCCC1=C([N+](=CS1)CC2=CN=C(N=C2[NH3+])C)C)OP(=O)([O-])[O-]

Isomeric SMILES

CCOP(=O)(OCCC1=C([N+](=CS1)CC2=CN=C(N=C2[NH3+])C)C)OP(=O)([O-])[O-]

InChI

InChI=1S/C14H22N4O7P2S/c1-4-23-27(22,25-26(19,20)21)24-6-5-13-10(2)18(9-28-13)8-12-7-16-11(3)17-14(12)15/h7,9H,4-6,8H2,1-3H3,(H3-,15,16,17,19,20,21)