1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester (Q27188045)

SMR000124447 (English)

10 October 2016

chemical formula

C₂₁H₂₃N₅O₄S

1 reference

SMR000124447 (English)

10 October 2016

canonical SMILES

CCOC(=O)C1CCCN(C1)C2=CC=C(C=C2)NC(=O)C3=C4C(=NS3)C(=O)N=C(N4)C

1 reference

SMR000124447 (English)

InChI=1S/C21H23N5O4S/c1-3-30-21(29)13-5-4-10-26(11-13)15-8-6-14(7-9-15)24-20(28)18-16-17(25-31-18)19(27)23-12(2)22-16/h6-9,13H,3-5,10-11H2,1-2H3,(H,24,28)(H,22,23,27)

10 October 2016

Identifiers

InChI

1 reference

SMR000124447 (English)

SOMRSGZDUWXXCH-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

SMR000124447 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ethyl 1-(4-{[(5-methyl-7-oxo-4,7-dihydro[1,2]thiazolo[4,3-d]pyrimidin-3-yl)carbonyl]amino}phenyl)-3-piperidinecarboxylate (English)

10 October 2016

1 reference

SMR000124447 (English)

10 October 2016

ChEBI ID

109040

mapping relation type

1 reference

1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester (English)

10 October 2016

1 reference

CHEMBL1404683 (English)