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Reference substances

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IUPAC name:
2-[3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate tetrahydrate

Inventory

CAS number:
68684-55-9

Synonyms

Molecular and structural information

Molecular formula:
C12H18N4O7P2S.4H2O
Molecular weight:
496.368
SMILES notation:
O.O.O.O.[O-]P(=O)(O)OP(=O)(O)OCCc2sc[n+](Cc1cnc(C)nc1N)c2C
InChl:
InChI=1S/C12H18N4O7P2S.4H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);4*1H2
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
136-09-4