TZD

2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE



Chemical Component Summary

Name2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
SynonymsTHIAMIN THIAZOLONE DIPHOSPHATE
Identifiers2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxo-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
FormulaC12 H18 N4 O8 P2 S
Molecular Weight440.306
TypeNON-POLYMER
Isomeric SMILESCc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C
InChIInChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)
InChIKeyZGJUYGIRPQSCFA-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count46
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL403021
PubChem 124687
ChEMBL CHEMBL403021