th-4000e (CHEBI:758544)

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CHEBI:758544 - th-4000e

Formula	C19H18BrClN6O
Net Charge	0
Average Mass	461.751
Monoisotopic Mass	460.04140
SMILES	CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1
InChI	InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
InChIKey	QBACGOWRJDBXSG-ONEGZZNKSA-N

ChEBI Ontology

Outgoing Relation(s)
	th-4000e (CHEBI:758544) is a pyridopyrimidine (CHEBI:38932)

Citations