الاسم: 3-{2-[(2-{[3-(2-bromoethyl)phenyl]amino}-5-chloropyrimidin-4-yl)amino]ethyl}phenol

IUPAC: 3-[2-[[2-[3-(2-bromoethyl)anilino]-5-chloropyrimidin-4-yl]amino]ethyl]phenol

SMILES: Oc1cccc(CCNc2nc(Nc3cccc(CCBr)c3)ncc2Cl)c1

Canonical SMILES: C1=CC(=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CC(=CC=C3)O)Cl)CCBr

الصيغة الجزيئية: C20H20BrClN4O

الوزن الجزيئي: 447.80

InChIKey: IKEBVVGLXIVRMF-UHFFFAOYSA-N

InChI:

InChI=1S/C20H20BrClN4O/c21-9-7-14-3-1-5-16(11-14)25-20-24-13-18(22)19(26-20)23-10-8-15-4-2-6-17(27)12-15/h1-6,11-13,27H,7-10H2,(H2,23,24,25,26)

مرادفات

SCHEMBL2514449IKEBVVGLXIVRMF-UHFFFAOYSA-N3-{2-[(2-{[3-(2-Bromoethyl)phenyl]amino}-5-chloropyrimidin-4-yl)amino]ethyl}phenol

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