2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(hydroxymethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(hydroxymethyl)-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-methylol-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Formula: C13H21N4O8P2S+ MolecularWeight: 455.340362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O8P2S/c1-8-11(3-4-24-27(22,23)25-26(19,20)21)28-12(7-18)17(8)6-10-5-15-9(2)16-13(10)14/h5,18H,3-4,6-7H2,1-2H3,(H4-,14,15,16,19,20,21,22,23)/p+1