CHEBI:105121 - 6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
ChEBI ID CHEBI:105121
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H14N4O2S
Net Charge 0
Average Mass 350.396
Monoisotopic Mass 350.08375
InChI InChI=1S/C18H14N4O2S/c1-23-12-4-2-3-10(7-12)16-15-14(11-5-6-25-9-11)13(8-19)17(20)24-18(15)22-21-16/h2-7,9,14H,20H2,1H3,(H,21,22)
InChIKey NQRGIICELSOXOP-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4
ChEBI Ontology
Outgoing 6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:105121) is a pyranopyrazole (CHEBI:131903)
6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:105121) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-16484 LINCS
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Last Modified
11 May 2016