4-[4-[[2-azanyl-6-(5-bromanyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol

Systemtic Name: 4-[4-[[2-azanyl-6-(5-bromanyl-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Openeye Name: 4-[4-[[2-amino-6-(5-bromo-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol CAS Name: 4-[4-[[2-amino-6-(5-bromo-2-methylphenyl)-4-pyrimidinyl]amino]phenyl]-1-butanol IUPAC Name: 4-[4-[[2-amino-6-(5-bromo-2-methylphenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Traditional Name: 4-[4-[[2-amino-6-(5-bromo-2-methyl-phenyl)pyrimidin-4-yl]amino]phenyl]butan-1-ol Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCCO

Isomeric SMILES

CC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)CCCCO

InChI

InChI=1S/C21H23BrN4O/c1-14-5-8-16(22)12-18(14)19-13-20(26-21(23)25-19)24-17-9-6-15(7-10-17)4-2-3-11-27/h5-10,12-13,27H,2-4,11H2,1H3,(H3,23,24,25,26)