2-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]propanoic acid

Systemtic Name: 2-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]propanoic acid Openeye Name: 2-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]propanoic acid CAS Name: 2-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenyl]propanoic acid IUPAC Name: 2-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenyl]propanoic acid Traditional Name: 2-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]propionic acid Formula: C19H17BrN4O2 MolecularWeight: 413.26788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O2/c1-12(18(25)26)13-7-9-15(10-8-13)23-19-21-11-16(20)17(24-19)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,25,26)(H2,21,22,23,24)