6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8H)-one (Q27456860)

CHEMBL1230610 (English)

6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8H)-one

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₁₈F₂N₄O₄S

1 reference

CHEMBL1230610 (English)

19 October 2016

canonical SMILES

CC(CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F

1 reference

CHEMBL1230610 (English)

19 October 2016

isomeric SMILES

C[C@@H](CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F

1 reference

CHEMBL1230610 (English)

InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1230610 (English)

DVEYHFXOGUYFBU-JTQLQIEISA-N

19 October 2016

InChIKey

1 reference

CHEMBL1230610 (English)

19 October 2016

1 reference

6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2S)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one (English)

19 October 2016

1 reference

CHEMBL1230610 (English)

19 October 2016

1 reference

CHEMBL1230610 (English)

19 October 2016

1 reference

0 references

1 reference

3FLQ (English)