N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide (Q27453385)

CHEMBL3358097 (English)

19 October 2016

chemical formula

C₂₀H₂₆N₆O₄S₃

1 reference

CHEMBL3358097 (English)

19 October 2016

canonical SMILES

CC1=C(N=C(S1)C2=CC(=C(C=C2)OC)OCCNS(=O)(=O)C)C(C)SC3=NC(=CC(=N3)N)N

1 reference

CHEMBL3358097 (English)

19 October 2016

isomeric SMILES

CC1=C(N=C(S1)C2=CC(=C(C=C2)OC)OCCNS(=O)(=O)C)[C@@H](C)SC3=NC(=CC(=N3)N)N

1 reference

CHEMBL3358097 (English)

InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3358097 (English)

MBPWFMBRNJJXFY-GFCCVEGCSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3358097 (English)

19 October 2016

1 reference

N-{2-[5-(4-{(1R)-1-[(4,6-Diamino-2-pyrimidinyl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide (English)

19 October 2016

1 reference

CHEMBL3358097 (English)

19 October 2016

1 reference

CHEMBL3358097 (English)

19 October 2016

1 reference

0 references

1 reference

4Q1F (English)