(Q27165019)

CHEMBL2158275 (English)

9 October 2016

chemical formula

C₁₈H₁₃N₃O₆S

1 reference

CHEMBL2158275 (English)

9 October 2016

canonical SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

1 reference

CHEMBL2158275 (English)

InChI=1S/C18H13N3O6S/c1-11-6-7-19-18(20-11)28-10-14-8-15(22)16(9-26-14)27-17(23)12-2-4-13(5-3-12)21(24)25/h2-9H,10H2,1H3

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2158275 (English)

UMKSGEWGYQSSMF-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL2158275 (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-nitrobenzoate (English)

9 October 2016

2 references

CHEMBL2158275 (English)

matched by identifier from

9 October 2016

InChIKey

UMKSGEWGYQSSMF-UHFFFAOYSA-N

ChEBI ID

93306

mapping relation type

2 references

4-nitrobenzoic 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/C18H13N3O6S/c1-11-6-7-19-18(20-11)28-10-14-8-15(22)16(9-26-14)27-17(23)12-2-4-13(5-3-12)21(24)25/h2-9H,10H2,1H3

1 reference