3-[[4-[(2-bromanyl-5-oxidanyl-phenyl)amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-[(2-bromanyl-5-oxidanyl-phenyl)amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-(2-bromo-5-hydroxy-anilino)pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-(2-bromo-5-hydroxyanilino)-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-(2-bromo-5-hydroxyanilino)pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-(2-bromo-5-hydroxy-anilino)pyrimidin-2-yl]amino]benzamide Formula: C17H14BrN5O2 MolecularWeight: 400.22936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O2/c18-13-5-4-12(24)9-14(13)22-15-6-7-20-17(23-15)21-11-3-1-2-10(8-11)16(19)25/h1-9,24H,(H2,19,25)(H2,20,21,22,23)