2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-ethanoyl-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-ethanoyl-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[2-acetyl-3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[2-acetyl-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[2-acetyl-3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Formula: C14H21N4O8P2S+ MolecularWeight: 467.351062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1