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

Systemtic Name: 2-[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy]ethyl phosphono hydrogen phosphate chloride Openeye Name: 2-[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy]ethyl phosphono hydrogen phosphate chloride CAS Name: 2-[2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy]ethyl phosphono hydrogen phosphate chloride IUPAC Name: 2-[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy]ethyl phosphono hydrogen phosphate chloride Traditional Name: 2-[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy]ethyl phosphono hydrogen phosphate chloride Formula: C14H23ClN4O8P2S MolecularWeight: 504.819942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOCCOP(=O)(O)OP(=O)(O)O.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOCCOP(=O)(O)OP(=O)(O)O.[Cl-]

InChI

InChI=1S/C14H22N4O8P2S.ClH/c1-10-13(3-4-24-5-6-25-28(22,23)26-27(19,20)21)29-9-18(10)8-12-7-16-11(2)17-14(12)15;/h7,9H,3-6,8H2,1-2H3,(H4-,15,16,17,19,20,21,22,23);1H