1-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]-3-ethoxy-propan-2-ol

Systemtic Name: 1-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]-3-ethoxy-propan-2-ol Openeye Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]-3-ethoxy-propan-2-ol CAS Name: 1-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy]-3-ethoxy-2-propanol IUPAC Name: 1-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy]-3-ethoxypropan-2-ol Traditional Name: 1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]-3-ethoxy-propan-2-ol Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3/c1-2-28-13-17(27)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,27H,2,13-14H2,1H3,(H2,23,24,25,26)