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

Systemtic Name: 2-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]acetic acid Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C18H15BrN4O2/c19-15-11-20-18(23-17(15)21-13-4-2-1-3-5-13)22-14-8-6-12(7-9-14)10-16(24)25/h1-9,11H,10H2,(H,24,25)(H2,20,21,22,23)