1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea (Q27460983)

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

19 October 2016

chemical formula

C₁₆H₁₅ClN₆O₂

1 reference

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

19 October 2016

canonical SMILES

C1CNCC1OC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(N=C3)C#N

1 reference

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

19 October 2016

isomeric SMILES

C1CNC[C@@H]1OC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(N=C3)C#N

1 reference

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24)/t12-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

XWBVWQBBHHJLKT-GFCCVEGCSA-N

19 October 2016

InChIKey

1 reference

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

19 October 2016

1 reference

1-{5-Chloro-2-[(3R)-3-pyrrolidinyloxy]phenyl}-3-(5-cyano-2-pyrazinyl)urea (English)

19 October 2016

2 references

1-{5-Chloro-2-[(3r)-Pyrrolidin-3-Yloxy]phenyl}-3-(5-Cyanopyrazin-2-Yl)urea (English)

matched by identifier from

19 October 2016

InChIKey

XWBVWQBBHHJLKT-GFCCVEGCSA-N

1 reference

0 references

1 reference

4FT5 (English)