2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1H)-one (Q27455385)

ZINC19592386 (English)

19 October 2016

chemical formula

C₁₉H₂₂N₆OS

1 reference

ZINC19592386 (English)

19 October 2016

canonical SMILES

CNC1=NC=C(C=N1)CN2CCCC(C2)C3=NC(=O)C=C(N3)C4=CC=CS4

1 reference

ZINC19592386 (English)

19 October 2016

isomeric SMILES

CNC1=NC=C(C=N1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)C4=CC=CS4

1 reference

ZINC19592386 (English)

InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

ZINC19592386 (English)

ZSXCVAIJFUEGJR-AWEZNQCLSA-N

19 October 2016

InChIKey

1 reference

ZINC19592386 (English)

19 October 2016

1 reference

ZINC19592386 (English)

matched by identifier from

19 October 2016

135567058

1 reference

InChIKey

ZSXCVAIJFUEGJR-AWEZNQCLSA-N

0 references

0 references

1 reference

5C45 (English)