4-bromanyl-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]benzamide

Systemtic Name: 4-bromanyl-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 4-bromo-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]benzamide CAS Name: 4-bromo-N-[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]benzamide IUPAC Name: 4-bromo-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 4-bromo-N-[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]benzamide Formula: C17H13BrN6O MolecularWeight: 397.22872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)NC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H13BrN6O/c1-10-7-11(2)22-17(21-10)24-15(13(8-19)9-20-24)23-16(25)12-3-5-14(18)6-4-12/h3-7,9H,1-2H3,(H,23,25)