Pyrintegrin (CHEBI:233045)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233045 - Pyrintegrin

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:233045
ChEBI Name	Pyrintegrin
Stars
Submitter	wctseng
Downloads	Molfile

Formula	C23H25N5O3S
Net Charge	0
Average Mass	451.552
Monoisotopic Mass	451.16781
SMILES	[H]Oc1c([H])c([H])c2c(c1[H])C([H])([H])C([H])([H])C([H])([H])N2c1nc(N([H])c2c([H])c([H])c(S(=O)(=O)N([H])C([H])([H])C3([H])C([H])([H])C3([H])[H])c([H])c2[H])nc([H])c1[H]
InChI	InChI=1S/C23H25N5O3S/c29-19-7-10-21-17(14-19)2-1-13-28(21)22-11-12-24-23(27-22)26-18-5-8-20(9-6-18)32(30,31)25-15-16-3-4-16/h5-12,14,16,25,29H,1-4,13,15H2,(H,24,26,27)
InChIKey	QRJTZIJWDLJKQO-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	Pyrintegrin (CHEBI:233045) is a organic molecular entity (CHEBI:50860)

Synonym	Source
N-Cyclopropylmethyl-4-[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrimidin-2-ylamino]-benzenesulfonamide	SUBMITTER

Registry Numbers	Sources
CAS:1228445-38-2	SUBMITTER