1-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]butan-2-ol

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]butan-2-ol Openeye Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]butan-2-ol CAS Name: 1-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy]-2-butanol IUPAC Name: 1-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy]butan-2-ol Traditional Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]butan-2-ol Formula: C20H21BrN4O2 MolecularWeight: 429.31034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)O

Isomeric SMILES

CCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)O

InChI

InChI=1S/C20H21BrN4O2/c1-2-16(26)13-27-17-10-8-15(9-11-17)24-20-22-12-18(21)19(25-20)23-14-6-4-3-5-7-14/h3-12,16,26H,2,13H2,1H3,(H2,22,23,24,25)