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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl ethyl phosphono phosphate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ethyl phosphono phosphate CAS Name: phosphoric acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ethyl phosphono ester IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl ethyl phosphono phosphate Traditional Name: phosphoric acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ethyl phosphono ester Formula: C14H23N4O7P2S+ MolecularWeight: 453.367542

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C)OP(=O)(O)O

Isomeric SMILES

CCOP(=O)(OCCC1=C([N+](=CS1)CC2=CN=C(N=C2N)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)/p+1