PMU

(3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol


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Chemical Component Summary

Name(3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
Identifiers(3S,4S)-1-[3-(2-azanyl-6-propan-2-yl-pyrimidin-4-yl)-4-oxidanyl-phenyl]pyrrolidine-3,4-diol
FormulaC17 H22 N4 O3
Molecular Weight330.382
TypeNON-POLYMER
Isomeric SMILESCC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O
InChIInChI=1S/C17H22N4O3/c1-9(2)12-6-13(20-17(18)19-12)11-5-10(3-4-14(11)22)21-7-15(23)16(24)8-21/h3-6,9,15-16,22-24H,7-8H2,1-2H3,(H2,18,19,20)/t15-,16-/m0/s1
InChIKeyVIUGBRHEHAGOFV-HOTGVXAUSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count2
Bond Count48
Aromatic Bond Count13

Related Resource References

Resource NameReference
PubChem 135566570
ChEMBL CHEMBL1800452