3-bromanyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 3-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 3-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 3-bromo-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 3-bromo-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H18BrN5O2/c1-4-14-11(3)20-18(22-17(14)26)24-15(8-10(2)23-24)21-16(25)12-6-5-7-13(19)9-12/h5-9H,4H2,1-3H3,(H,21,25)(H,20,22,26)