(Q27164087)

CHEMBL2158276 (English)

9 October 2016

chemical formula

C₁₉H₁₃N₃O₄S

1 reference

CHEMBL2158276 (English)

9 October 2016

canonical SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)C#N

1 reference

CHEMBL2158276 (English)

InChI=1S/C19H13N3O4S/c1-12-6-7-21-19(22-12)27-11-15-8-16(23)17(10-25-15)26-18(24)14-4-2-13(9-20)3-5-14/h2-8,10H,11H2,1H3

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2158276 (English)

DMHSYFVBDUAXLD-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL2158276 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6-{[(4-Methyl-2-pyrimidinyl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 4-cyanobenzoate (English)

9 October 2016

2 references

CHEMBL2158276 (English)

matched by identifier from

9 October 2016

InChIKey

DMHSYFVBDUAXLD-UHFFFAOYSA-N

ChEBI ID

92343

mapping relation type

2 references

4-cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H13N3O4S/c1-12-6-7-21-19(22-12)27-11-15-8-16(23)17(10-25-15)26-18(24)14-4-2-13(9-20)3-5-14/h2-8,10H,11H2,1H3

1 reference