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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)OCC(C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)OCC(C)O

InChI

InChI=1S/C21H23BrN4O3/c1-3-28-19-11-16(9-10-18(19)29-13-14(2)27)25-21-23-12-17(22)20(26-21)24-15-7-5-4-6-8-15/h4-12,14,27H,3,13H2,1-2H3,(H2,23,24,25,26)